1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol

C13H16F2O — CID 82820086

IUPAC1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol
SMILESCc1ccc(F)c(C2(O)CCC(C)C2)c1F
InChIInChI=1S/C13H16F2O/c1-8-5-6-13(16,7-8)11-10(14)4-3-9(2)12(11)15/h3-4,8,16H,5-7H2,1-2H3
InChIKeyVOJCFEHOEHSQOZ-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.28
Rot. Bonds1

About 1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol

1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol (PubChem CID 82820086) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol
PubChem CID82820086
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol
SMILESCc1ccc(F)c(C2(O)CCC(C)C2)c1F
InChIInChI=1S/C13H16F2O/c1-8-5-6-13(16,7-8)11-10(14)4-3-9(2)12(11)15/h3-4,8,16H,5-7H2,1-2H3
InChIKeyVOJCFEHOEHSQOZ-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol (CID 82820086) is 1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol is Cc1ccc(F)c(C2(O)CCC(C)C2)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol?
The InChIKey is VOJCFEHOEHSQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c1-8-5-6-13(16,7-8)11-10(14)4-3-9(2)12(11)15/h3-4,8,16H,5-7H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol?
1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol has a molecular weight of 226.27 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol is sourced from PubChem (CID 82820086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).