1- (4-Fluorophenyl) cyclohexanecarbonitrile

CAT: 0127-PC103766-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-PC103766-01Size:5 g

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CAS Number

71486-43-6

MDL Number

MFCD00800617

Purity

98%

Smiles

C1CCC(CC1)(C#N)C2=CC=C(C=C2)F

Chemical Information

1-(4-Fluorophenyl)cyclohexanecarbonitrile

CAS Number	71486-43-6
PubChem CID	736126
IUPAC Name	1-(4-fluorophenyl)cyclohexane-1-carbonitrile
Molecular Formula	C13H14FN
Molecular Weight	203.25
XLogP	3.6
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	251

SMILES

C1CCC(CC1)(C#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H14FN/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h4-7H,1-3,8-9H2

InChIKey

CXHLRVDEACWSNN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 71486-43-6

CID: 736126

Formula: C13H14FN

MW: 203.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	203.25
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	203.111027613
Monoisotopic Mass	203.111027613
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	251
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1087205-01	1- (4-methoxybenzoyl) cyclohexanecarbonitrile
OR1008951-01	1- (4-Methoxyphenyl) Cyclohexanecarbonitrile
PC1006440-01	1- (3,4-Difluorophenyl) cyclohexanecarbonitrile
OR27707-01	Cyclohexanecarbonitrile
OR1083995-01	1- (Cyclohexylthio) cyclohexanecarbonitrile
OR1093643-01	1-ethyl-Cyclohexanecarbonitrile
OR27708-01	1- (Chloromethyl) cyclohexanecarbonitrile
OR1093061-01	1- (Ethylthio) cyclohexanecarbonitrile
OR1092289-01	1-acetyl-Cyclohexanecarbonitrile
OR1079576-01	1- (Cyanomethyl) Cyclohexanecarbonitrile

Catalog	Name
408146-01	1- (4-Fluorophenyl) cyclohexanecarbonitrile
SDC65769-01	4- (Trifluoromethyl) cyclohexanecarbonitrile
sc-281889	1- (4-methylphenyl) cyclohexanecarbonitrile
sc-264598	1- (4-Methoxyphenyl) -1-cyclohexanecarbonitrile
FDA13911-01	4-Oxo-1- (2-pyridinyl) cyclohexanecarbonitrile
VVB68860-01	4-Oxo-1- (3-pyridinyl) -cyclohexanecarbonitrile
YTA92379-01	Trans-4-N-Boc-Aminomethyl-cyclohexanecarbonitrile
sc-332142	1- (2-Chloro-4-fluoropenyl) -cyclohexanecarbonitrile
MBS6037514-01	4-Benzyloxy-1-cyclohexanecarbonitrile (cis/trans mixture)
sc-333563A	1-[4- (chloroacetyl) piperazin-1-yl]cyclohexanecarbonitrile