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

C15H20F2O — CID 65086098

IUPAC1-(3,4-difluorophenyl)-4,4-dimethylcycloheptan-1-ol
SMILESCC1(C)CCCC(O)(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H20F2O/c1-14(2)6-3-7-15(18,9-8-14)11-4-5-12(16)13(17)10-11/h4-5,10,18H,3,6-9H2,1-2H3
InChIKeyBMTUNTGCYDSMGC-UHFFFAOYSA-N
MW254.32 g/mol
LogP4.14
Rot. Bonds1

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

1-(3,4-difluorophenyl)-4,4-dimethylcycloheptan-1-ol (PubChem CID 65086098) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-4,4-dimethylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-4,4-dimethylcycloheptan-1-ol
PubChem CID65086098
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name1-(3,4-difluorophenyl)-4,4-dimethylcycloheptan-1-ol
SMILESCC1(C)CCCC(O)(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H20F2O/c1-14(2)6-3-7-15(18,9-8-14)11-4-5-12(16)13(17)10-11/h4-5,10,18H,3,6-9H2,1-2H3
InChIKeyBMTUNTGCYDSMGC-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-4-methylcycloheptan-1-ol
CID 65084915
1-(3,4-dichlorophenyl)-4,4-dimethylcycloheptan-1-ol
CID 65085693
4,4-dimethyl-1-(2,3,4-trifluorophenyl)cycloheptan-1-ol
CID 65085438
4-(3,4-difluorophenyl)oxepan-4-ol
CID 65079366
4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol
CID 65085797
1-(4-chloro-3-fluorophenyl)cyclobutan-1-ol
CID 68719259
1-(5-fluoro-3-pyridinyl)-4,4-dimethylcycloheptan-1-ol
CID 65085642
4-(3,4-difluorophenyl)piperidin-4-ol;hydrochloride
CID 129319882
3-(3,4-difluorophenyl)piperidin-3-ol
CID 63588300
4-(3,4-difluorophenyl)-1-propylazepan-4-ol
CID 65077615
cis-(1R,4S)-1,4-bis(4-fluorophenyl)cycloheptane-1,4-diol
CID 101158460
4,4-dimethyl-1-thiophen-3-ylcycloheptan-1-ol
CID 65099568

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-4,4-dimethylcycloheptan-1-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-4,4-dimethylcycloheptan-1-ol (CID 65086098) is 1-(3,4-difluorophenyl)-4,4-dimethylcycloheptan-1-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-4,4-dimethylcycloheptan-1-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-4,4-dimethylcycloheptan-1-ol is CC1(C)CCCC(O)(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-4,4-dimethylcycloheptan-1-ol?
The InChIKey is BMTUNTGCYDSMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-14(2)6-3-7-15(18,9-8-14)11-4-5-12(16)13(17)10-11/h4-5,10,18H,3,6-9H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-4,4-dimethylcycloheptan-1-ol?
1-(3,4-difluorophenyl)-4,4-dimethylcycloheptan-1-ol has a molecular weight of 254.32 g/mol, XLogP of 4.14, 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)-4,4-dimethylcycloheptan-1-ol is sourced from PubChem (CID 65086098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).