1-[2- (4-Fluorophenyl) ethynyl]cyclohexanol

CAT: 0127-PC1011086-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1011086-01Size:250 mg

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CAS Number

1417513-27-9

MDL Number

MFCD22686751

Purity

95%

Smiles

C (#Cc1ccc (F) cc1) C1 (O) CCCCC1

Chemical Information

1-[2-(4-Fluorophenyl)ethynyl]cyclohexanol

CAS Number	1417513-27-9
PubChem CID	71625922
IUPAC Name	1-[2-(4-fluorophenyl)ethynyl]cyclohexan-1-ol
Molecular Formula	C14H15FO
Molecular Weight	218.27
XLogP	3.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	284

SMILES

C1CCC(CC1)(C#CC2=CC=C(C=C2)F)O

InChI

InChI=1S/C14H15FO/c15-13-6-4-12(5-7-13)8-11-14(16)9-2-1-3-10-14/h4-7,16H,1-3,9-10H2

InChIKey

QGFZFDUVZDVREC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1417513-27-9

CID: 71625922

Formula: C14H15FO

MW: 218.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.27
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	218.110693260
Monoisotopic Mass	218.110693260
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	284
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
PC1011074-01	1-[2- (3-Fluorophenyl) ethynyl]cyclohexanol
PC101806-01	2- (4-Fluorophenyl) cyclohexanol
OR1082401-01	1-[2- (4-Bromophenyl) ethynyl]cyclohexanol
OR1094216-01	1-[2- (4-Chlorophenyl) ethynyl]cyclohexanol
PC1023745	1- (4-fluorophenyl) cyclohexanol
OR1083460-01	1-[2- (4-Ethylphenyl) ethynyl]cyclohexanol
OR1080175-01	1-[2- (4-Methoxyphenyl) ethynyl]cyclohexanol
OR1084739-01	1-[2- (4-Methylphenyl) ethynyl]cyclohexanol
PC1026375-01	1- (4-chloro-2-fluorophenyl) cyclohexanol
PC1019995-01	1- (4-bromo-2-fluorophenyl) cyclohexanol

Catalog	Name
MRD28994-01	1- (4-Ethynyl-2-fluorophenyl) methanamine hydrochloride
BAA49635	1- (3-Fluorophenyl) cyclohexanol
JH918260	Tert-butyl 4- (4-ethynyl-2-fluorophenyl) piperazin-1-carboxylate
JH918261	1,1-Dimethylethyl 4- (4-ethynyl-3-fluorophenyl) -1-piperazinecarboxylate
sc-230296	2-Ethynyl-1,4-dimethylbenzene
428588-01	4- (2-Chlorophenyl) -cyclohexanol
sc-224667	1-Ethynyl-2,4-difluorobenzene
TRC-C379420-2.5G	4-(2-Chlorophenyl)-cyclohexanol
sc-472936	4- (2-Aminoethyl) cyclohexanol
UAA92080-01	1- (4-Bromophenyl) cyclohexanol