(3,3-difluorocyclopentyl)-(2,4,5-trimethylphenyl)methanol

C15H20F2O — CID 114215811

IUPAC(3,3-difluorocyclopentyl)-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)C2CCC(F)(F)C2)cc1C
InChIInChI=1S/C15H20F2O/c1-9-6-11(3)13(7-10(9)2)14(18)12-4-5-15(16,17)8-12/h6-7,12,14,18H,4-5,8H2,1-3H3
InChIKeyVAVUQBVYPSAXPW-UHFFFAOYSA-N
MW254.32 g/mol
LogP4.08
Rot. Bonds2

About (3,3-difluorocyclopentyl)-(2,4,5-trimethylphenyl)methanol

(3,3-difluorocyclopentyl)-(2,4,5-trimethylphenyl)methanol (PubChem CID 114215811) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)-(2,4,5-trimethylphenyl)methanol.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)-(2,4,5-trimethylphenyl)methanol
PubChem CID114215811
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name(3,3-difluorocyclopentyl)-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)C2CCC(F)(F)C2)cc1C
InChIInChI=1S/C15H20F2O/c1-9-6-11(3)13(7-10(9)2)14(18)12-4-5-15(16,17)8-12/h6-7,12,14,18H,4-5,8H2,1-3H3
InChIKeyVAVUQBVYPSAXPW-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol
CID 105093857
piperidin-4-yl-(2,4,5-trimethylphenyl)methanol
CID 80503850
(4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol
CID 105091922
thiolan-3-yl-(2,4,5-trimethylphenyl)methanol
CID 105103601
6-bicyclo[3.1.0]hexanyl-(2,4,5-trimethylphenyl)methanol
CID 115806982
(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122331
(4,4-difluorocyclohexyl)-(3,4-dimethylphenyl)methanamine
CID 105140363
(4,4-difluorocyclohexyl)-(3-fluoro-5-methylphenyl)methanol
CID 105116100
(4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol
CID 105112974
(3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol
CID 114215857
[1-(3,3-difluorocyclopentyl)-2-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 114216956
(2-amino-4-methyl-3-pyridinyl)-(3,3-difluorocyclohexyl)methanol
CID 114215752

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)-(2,4,5-trimethylphenyl)methanol?
The IUPAC name of (3,3-difluorocyclopentyl)-(2,4,5-trimethylphenyl)methanol (CID 114215811) is (3,3-difluorocyclopentyl)-(2,4,5-trimethylphenyl)methanol.
What is the SMILES notation for (3,3-difluorocyclopentyl)-(2,4,5-trimethylphenyl)methanol?
The canonical SMILES for (3,3-difluorocyclopentyl)-(2,4,5-trimethylphenyl)methanol is Cc1cc(C)c(C(O)C2CCC(F)(F)C2)cc1C.
What is the InChIKey of (3,3-difluorocyclopentyl)-(2,4,5-trimethylphenyl)methanol?
The InChIKey is VAVUQBVYPSAXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-9-6-11(3)13(7-10(9)2)14(18)12-4-5-15(16,17)8-12/h6-7,12,14,18H,4-5,8H2,1-3H3.
What are the key properties of (3,3-difluorocyclopentyl)-(2,4,5-trimethylphenyl)methanol?
(3,3-difluorocyclopentyl)-(2,4,5-trimethylphenyl)methanol has a molecular weight of 254.32 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl)-(2,4,5-trimethylphenyl)methanol is sourced from PubChem (CID 114215811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).