(4,4-difluorocyclohexyl)-(3-fluoro-5-methylphenyl)methanol

C14H17F3O — CID 105116100

IUPAC(4,4-difluorocyclohexyl)-(3-fluoro-5-methylphenyl)methanol
SMILESCc1cc(F)cc(C(O)C2CCC(F)(F)CC2)c1
InChIInChI=1S/C14H17F3O/c1-9-6-11(8-12(15)7-9)13(18)10-2-4-14(16,17)5-3-10/h6-8,10,13,18H,2-5H2,1H3
InChIKeyKDJLCRDFKJTQBF-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.99
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(3-fluoro-5-methylphenyl)methanol

(4,4-difluorocyclohexyl)-(3-fluoro-5-methylphenyl)methanol (PubChem CID 105116100) has the molecular formula C14H17F3O and a molecular weight of 258.28 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(3-fluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(3-fluoro-5-methylphenyl)methanol
PubChem CID105116100
Molecular FormulaC14H17F3O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name(4,4-difluorocyclohexyl)-(3-fluoro-5-methylphenyl)methanol
SMILESCc1cc(F)cc(C(O)C2CCC(F)(F)CC2)c1
InChIInChI=1S/C14H17F3O/c1-9-6-11(8-12(15)7-9)13(18)10-2-4-14(16,17)5-3-10/h6-8,10,13,18H,2-5H2,1H3
InChIKeyKDJLCRDFKJTQBF-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cycloheptyl-(3-fluoro-5-methylphenyl)methanol
CID 79703242
(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol
CID 105093857
cycloheptyl-(3,5-dimethylphenyl)methanol
CID 65399155
(4-tert-butylphenyl)-(4,4-difluorocyclohexyl)methanol
CID 105091802
(4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 105095417
(3-fluoro-5-methylphenyl)-(5-methyloxolan-2-yl)methanol
CID 82837227
(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122331
(R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine
CID 130054445
1-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 79691284
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351077
(4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol
CID 105091922
(3-fluoro-5-methylphenyl)-(3-methyloxan-4-yl)methanol
CID 114242056

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(3-fluoro-5-methylphenyl)methanol?
The IUPAC name of (4,4-difluorocyclohexyl)-(3-fluoro-5-methylphenyl)methanol (CID 105116100) is (4,4-difluorocyclohexyl)-(3-fluoro-5-methylphenyl)methanol.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(3-fluoro-5-methylphenyl)methanol?
The canonical SMILES for (4,4-difluorocyclohexyl)-(3-fluoro-5-methylphenyl)methanol is Cc1cc(F)cc(C(O)C2CCC(F)(F)CC2)c1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(3-fluoro-5-methylphenyl)methanol?
The InChIKey is KDJLCRDFKJTQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O/c1-9-6-11(8-12(15)7-9)13(18)10-2-4-14(16,17)5-3-10/h6-8,10,13,18H,2-5H2,1H3.
What are the key properties of (4,4-difluorocyclohexyl)-(3-fluoro-5-methylphenyl)methanol?
(4,4-difluorocyclohexyl)-(3-fluoro-5-methylphenyl)methanol has a molecular weight of 258.28 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 (4,4-difluorocyclohexyl)-(3-fluoro-5-methylphenyl)methanol is sourced from PubChem (CID 105116100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).