2-(2-chloro-6-fluorophenyl)-2-cyclohexylethanol

C14H18ClFO — CID 82089092

IUPAC2-(2-chloro-6-fluorophenyl)-2-cyclohexylethanol
SMILESOCC(c1c(F)cccc1Cl)C1CCCCC1
InChIInChI=1S/C14H18ClFO/c15-12-7-4-8-13(16)14(12)11(9-17)10-5-2-1-3-6-10/h4,7-8,10-11,17H,1-3,5-6,9H2
InChIKeyDCNYCHFJEZURCC-UHFFFAOYSA-N
MW256.75 g/mol
LogP4.14
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-2-cyclohexylethanol

2-(2-chloro-6-fluorophenyl)-2-cyclohexylethanol (PubChem CID 82089092) has the molecular formula C14H18ClFO and a molecular weight of 256.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-cyclohexylethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-cyclohexylethanol
PubChem CID82089092
Molecular FormulaC14H18ClFO
Molecular Weight256.75 g/mol
Exact Mass256.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-cyclohexylethanol
SMILESOCC(c1c(F)cccc1Cl)C1CCCCC1
InChIInChI=1S/C14H18ClFO/c15-12-7-4-8-13(16)14(12)11(9-17)10-5-2-1-3-6-10/h4,7-8,10-11,17H,1-3,5-6,9H2
InChIKeyDCNYCHFJEZURCC-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid
CID 117358615
2-(4-chlorophenyl)-2-cyclohexylethanol
CID 79018633
2-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 82933922
1-[(S)-(2-chloro-6-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171163179
3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol
CID 65186484
cycloheptyl-(2,6-difluorophenyl)methanamine
CID 65399556
2-(2-chloro-6-fluorophenyl)-3-cyclopropyl-N'-hydroxypropanimidamide
CID 90996603
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
CID 112653044
2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol
CID 60896945
N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
CID 82933166
(R)-cyclohexyl-(2,6-difluorophenyl)methanamine;hydrochloride
CID 171204110
2,4-bis(2-chloro-6-fluorophenyl)pentan-3-one
CID 151106233

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-cyclohexylethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-cyclohexylethanol (CID 82089092) is 2-(2-chloro-6-fluorophenyl)-2-cyclohexylethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-cyclohexylethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-cyclohexylethanol is OCC(c1c(F)cccc1Cl)C1CCCCC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-cyclohexylethanol?
The InChIKey is DCNYCHFJEZURCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO/c15-12-7-4-8-13(16)14(12)11(9-17)10-5-2-1-3-6-10/h4,7-8,10-11,17H,1-3,5-6,9H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-cyclohexylethanol?
2-(2-chloro-6-fluorophenyl)-2-cyclohexylethanol has a molecular weight of 256.75 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-cyclohexylethanol is sourced from PubChem (CID 82089092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).