1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol

C14H15F5O — CID 64759664

IUPAC1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(Cc2ccc(F)cc2F)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H15F5O/c15-11-4-3-9(12(16)6-11)7-13(20)5-1-2-10(8-13)14(17,18)19/h3-4,6,10,20H,1-2,5,7-8H2
InChIKeyQIECMXCJVKNZKZ-UHFFFAOYSA-N
MW294.26 g/mol
LogP3.99
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol

1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64759664) has the molecular formula C14H15F5O and a molecular weight of 294.26 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64759664
Molecular FormulaC14H15F5O
Molecular Weight294.26 g/mol
Exact Mass294.10
IUPAC Name1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(Cc2ccc(F)cc2F)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H15F5O/c15-11-4-3-9(12(16)6-11)7-13(20)5-1-2-10(8-13)14(17,18)19/h3-4,6,10,20H,1-2,5,7-8H2
InChIKeyQIECMXCJVKNZKZ-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449843
1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 106265387
1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 64513612
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 62197513
1-[(1S,5S)-3-[(2,4-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2,2-trifluoroethanone
CID 124884376
4-tert-butyl-1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 114852298
1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane
CID 140989722
1-(4-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757037
cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 95278571
1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873962
1-(3-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759467
3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol
CID 102617388

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol (CID 64759664) is 1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol is OC1(Cc2ccc(F)cc2F)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is QIECMXCJVKNZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F5O/c15-11-4-3-9(12(16)6-11)7-13(20)5-1-2-10(8-13)14(17,18)19/h3-4,6,10,20H,1-2,5,7-8H2.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 294.26 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64759664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).