2- (4-Fluorophenoxy) cyclohexan-1-one

CAT: 0926-JCA79893-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-JCA79893-01Size:50 mg

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CAS Number

59798-93-5

MDL Number

MFCD22371312

Smiles

C1CCC (=O) C (C1) OC2=CC=C (C=C2) F

Molecular Formula

C12H13FO2

Molecular Weight

208.23 g/mol

Controlled

Chemical Information

2-(4-Fluorophenoxy)cyclohexan-1-one

CAS Number	59798-93-5
PubChem CID	54420842
IUPAC Name	2-(4-fluorophenoxy)cyclohexan-1-one
Molecular Formula	C12H13FO2
Molecular Weight	208.23
XLogP	2.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	222

SMILES

C1CCC(=O)C(C1)OC2=CC=C(C=C2)F

InChI

InChI=1S/C12H13FO2/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,12H,1-4H2

InChIKey

WAROXPGTACBWCD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59798-93-5

CID: 54420842

Formula: C12H13FO2

MW: 208.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.23
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	208.08995782
Monoisotopic Mass	208.08995782
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	222
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
LUD63461-01	2- (4-Fluorophenoxy) cyclohexan-1-amine hydrochloride
PZC06478-01	4- (4-Fluorophenoxy) cyclohexan-1-amine hydrochloride
GCC60332-01	2- (2-Fluorophenoxy) cyclohexan-1-amine hydrochloride
PAA19509-01	2- (4-Methylbenzenesulfonyl) cyclohexan-1-one
DEA31905-01	4- (Pyridin-2-yl) cyclohexan-1-one
QMC33669-01	4- (Cyclohexyloxy) cyclohexan-1-one
URB04941-01	2-[ (4-Fluorophenyl) sulfanyl]cyclohexan-1-one
CCA77613-01	2-[4- (Trifluoromethyl) phenyl]cyclohexan-1-one
RMC47808-01	4- (Cyclopentyloxy) cyclohexan-1-one
VXC61575-01	4- (Methanesulfonylmethyl) cyclohexan-1-one

Catalog	Name
RG-E140393-01	4- (methylamino) cyclohexan-1-one
OR18843-01	4- (Benzyloxy) cyclohexan-1-one
sc-261541A	4- (Trifluoromethyl) cyclohexan-1-one
PC110234-01	4- (Difluoromethyl) cyclohexan-1-one
OR1005888	4- (Methylsulfonyl) cyclohexan-1-one
PC1006330-01	4- (Trifluoromethoxy) cyclohexan-1-one
OR49023-01	4- (Dimethylamino) cyclohexan-1-one
OR1065214-01	4- (Benzylamino) cyclohexan-1-one
OR88035-01	4- (Bromomethyl) cyclohexan-1-one
OR6431-01	4- (Hydroxymethyl) cyclohexan-1-one