1-(3,4-difluorophenyl)-4-methylcycloheptan-1-ol

C14H18F2O — CID 65084915

IUPAC1-(3,4-difluorophenyl)-4-methylcycloheptan-1-ol
SMILESCC1CCCC(O)(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H18F2O/c1-10-3-2-7-14(17,8-6-10)11-4-5-12(15)13(16)9-11/h4-5,9-10,17H,2-3,6-8H2,1H3
InChIKeyIGNVVZZPVZVSHB-UHFFFAOYSA-N
MW240.29 g/mol
LogP3.75
Rot. Bonds1

About 1-(3,4-difluorophenyl)-4-methylcycloheptan-1-ol

1-(3,4-difluorophenyl)-4-methylcycloheptan-1-ol (PubChem CID 65084915) has the molecular formula C14H18F2O and a molecular weight of 240.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-4-methylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-4-methylcycloheptan-1-ol
PubChem CID65084915
Molecular FormulaC14H18F2O
Molecular Weight240.29 g/mol
Exact Mass240.13
IUPAC Name1-(3,4-difluorophenyl)-4-methylcycloheptan-1-ol
SMILESCC1CCCC(O)(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H18F2O/c1-10-3-2-7-14(17,8-6-10)11-4-5-12(15)13(16)9-11/h4-5,9-10,17H,2-3,6-8H2,1H3
InChIKeyIGNVVZZPVZVSHB-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-4-methylcycloheptan-1-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-4-methylcycloheptan-1-ol (CID 65084915) is 1-(3,4-difluorophenyl)-4-methylcycloheptan-1-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-4-methylcycloheptan-1-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-4-methylcycloheptan-1-ol is CC1CCCC(O)(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-4-methylcycloheptan-1-ol?
The InChIKey is IGNVVZZPVZVSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O/c1-10-3-2-7-14(17,8-6-10)11-4-5-12(15)13(16)9-11/h4-5,9-10,17H,2-3,6-8H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-4-methylcycloheptan-1-ol?
1-(3,4-difluorophenyl)-4-methylcycloheptan-1-ol has a molecular weight of 240.29 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-4-methylcycloheptan-1-ol is sourced from PubChem (CID 65084915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).