2-(5-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol

C15H17ClF4O — CID 103053363

IUPAC2-(5-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
SMILESOC(Cc1cc(Cl)ccc1F)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H17ClF4O/c16-10-5-6-13(17)9(7-10)8-14(21)11-3-1-2-4-12(11)15(18,19)20/h5-7,11-12,14,21H,1-4,8H2
InChIKeyHJANWVJREWYQQK-UHFFFAOYSA-N
MW324.75 g/mol
LogP4.75
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol

2-(5-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol (PubChem CID 103053363) has the molecular formula C15H17ClF4O and a molecular weight of 324.75 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
PubChem CID103053363
Molecular FormulaC15H17ClF4O
Molecular Weight324.75 g/mol
Exact Mass324.09
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
SMILESOC(Cc1cc(Cl)ccc1F)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H17ClF4O/c16-10-5-6-13(17)9(7-10)8-14(21)11-3-1-2-4-12(11)15(18,19)20/h5-7,11-12,14,21H,1-4,8H2
InChIKeyHJANWVJREWYQQK-UHFFFAOYSA-N
XLogP4.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.75
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 102623125
2-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 102867474
2-(2,3-difluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 104622655
(3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105081334
2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol
CID 114852326
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 103048252
1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol
CID 65399864
2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 103048254
1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine
CID 103052907
1-[2-chloro-2-[2-(trifluoromethyl)cyclohexyl]ethyl]-2,3-difluorobenzene
CID 104622698
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 103053466
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol
CID 65321223

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol (CID 103053363) is 2-(5-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol is OC(Cc1cc(Cl)ccc1F)C1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol?
The InChIKey is HJANWVJREWYQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF4O/c16-10-5-6-13(17)9(7-10)8-14(21)11-3-1-2-4-12(11)15(18,19)20/h5-7,11-12,14,21H,1-4,8H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol?
2-(5-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol has a molecular weight of 324.75 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol is sourced from PubChem (CID 103053363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).