1- (2,3-difluorophenyl) cyclohexanol

CAT: 0127-PC1025559-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1025559-01Size:250 mg

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CAS Number

1339263-18-1

MDL Number

MFCD19626870

Purity

97%

Smiles

C1ccc (c (c1C1 (CCCCC1) O) F) F

Chemical Information

1-(2,3-Difluorophenyl)cyclohexanol

CAS Number	1339263-18-1
PubChem CID	63990032
IUPAC Name	1-(2,3-difluorophenyl)cyclohexan-1-ol
Molecular Formula	C12H14F2O
Molecular Weight	212.24
XLogP	2.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	214

SMILES

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

InChI

InChI=1S/C12H14F2O/c13-10-6-4-5-9(11(10)14)12(15)7-2-1-3-8-12/h4-6,15H,1-3,7-8H2

InChIKey

NSPHOXIHCGKLGY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1339263-18-1

CID: 63990032

Formula: C12H14F2O

MW: 212.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.24
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	212.10127139
Monoisotopic Mass	212.10127139
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	214
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
PC1025563	1- (3,5-difluorophenyl) cyclohexanol
PC1023524-01	1- (2,4-difluorophenyl) cyclohexanol
PC1023528-01	1- (3,4-difluorophenyl) cyclohexanol
PC1010427-01	1- (2,6-difluorophenyl) cyclohexanol
PC1010456-01	1- (2,5-difluorophenyl) cyclohexanol
PC1014354-01	1- (4-bromo-2,3-difluorophenyl) cyclohexanol
PC1018634-01	1- (3-chloro-2,6-difluorophenyl) cyclohexanol
PC1012553-01	1- (3-bromo-2,6-difluorophenyl) cyclohexanol
PC1019297-01	1- (4-chloro-2,3-difluorophenyl) cyclohexanol
PC1019151-01	1- (3-chloro-2,4-difluorophenyl) cyclohexanol

Catalog	Name
422443-01	3- (2-Chlorophenyl) -cyclohexanol
REA65026	3- (Aminomethyl) cyclohexanol
sc-288940	3-Amino-cyclohexanol
HY-168552	3-Hydroxyazetidine-Cyclohexanol
TRC-C379400-2.5G	2-(2-Chlorophenyl)-cyclohexanol
413128-01	2- (2-Chlorophenyl) -cyclohexanol
TRC-A610665-100MG	2-(2-Amino-3,5-dibromophenyl)cyclohexanol
sc-472936	4- (2-Aminoethyl) cyclohexanol
sc-285299	Cis-2-Aminomethyl-cyclohexanol
sc-294076	Cis-2-Methylamino-cyclohexanol