(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol

C14H17F3O — CID 105093857

IUPAC(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol
SMILESCc1cc(F)ccc1C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C14H17F3O/c1-9-8-11(15)2-3-12(9)13(18)10-4-6-14(16,17)7-5-10/h2-3,8,10,13,18H,4-7H2,1H3
InChIKeySHCWCMILYJSOPQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.99
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol

(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol (PubChem CID 105093857) has the molecular formula C14H17F3O and a molecular weight of 258.28 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol
PubChem CID105093857
Molecular FormulaC14H17F3O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol
SMILESCc1cc(F)ccc1C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C14H17F3O/c1-9-8-11(15)2-3-12(9)13(18)10-4-6-14(16,17)7-5-10/h2-3,8,10,13,18H,4-7H2,1H3
InChIKeySHCWCMILYJSOPQ-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

cyclobutyl-(4-fluoro-2-methylphenyl)methanol
CID 64987002
cyclopentyl-(4-fluoro-2-methylphenyl)methanol
CID 62789449
(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine
CID 105142839
1-(4,4-difluorocyclohexyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142852
(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122331
(4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol
CID 105091922
(4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol
CID 80560290
(3,3-difluorocyclopentyl)-(2,4,5-trimethylphenyl)methanol
CID 114215811
(4,4-difluorocyclohexyl)-(3-fluoro-5-methylphenyl)methanol
CID 105116100
2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol
CID 79912707
1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105188329
(4-fluoro-2-methylphenyl)-(5-methyloxolan-2-yl)methanol
CID 82838250

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol?
The IUPAC name of (4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol (CID 105093857) is (4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol?
The canonical SMILES for (4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol is Cc1cc(F)ccc1C(O)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol?
The InChIKey is SHCWCMILYJSOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O/c1-9-8-11(15)2-3-12(9)13(18)10-4-6-14(16,17)7-5-10/h2-3,8,10,13,18H,4-7H2,1H3.
What are the key properties of (4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol?
(4,4-difluorocyclohexyl)-(4-fluoro-2-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)-(4-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 105093857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).