2-[(2,2-difluorocyclopentyl)methyl]cyclohexan-1-one

C12H18F2O — CID 130905676

IUPAC2-[(2,2-difluorocyclopentyl)methyl]cyclohexan-1-one
SMILESO=C1CCCCC1CC1CCCC1(F)F
InChIInChI=1S/C12H18F2O/c13-12(14)7-3-5-10(12)8-9-4-1-2-6-11(9)15/h9-10H,1-8H2
InChIKeyQOXHWLNIGRACGK-UHFFFAOYSA-N
MW216.27 g/mol
LogP3.57
Rot. Bonds2

About 2-[(2,2-difluorocyclopentyl)methyl]cyclohexan-1-one

2-[(2,2-difluorocyclopentyl)methyl]cyclohexan-1-one (PubChem CID 130905676) has the molecular formula C12H18F2O and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-[(2,2-difluorocyclopentyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(2,2-difluorocyclopentyl)methyl]cyclohexan-1-one
PubChem CID130905676
Molecular FormulaC12H18F2O
Molecular Weight216.27 g/mol
Exact Mass216.13
IUPAC Name2-[(2,2-difluorocyclopentyl)methyl]cyclohexan-1-one
SMILESO=C1CCCCC1CC1CCCC1(F)F
InChIInChI=1S/C12H18F2O/c13-12(14)7-3-5-10(12)8-9-4-1-2-6-11(9)15/h9-10H,1-8H2
InChIKeyQOXHWLNIGRACGK-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluorocyclopentyl)methyl]cyclohexan-1-one?
The IUPAC name of 2-[(2,2-difluorocyclopentyl)methyl]cyclohexan-1-one (CID 130905676) is 2-[(2,2-difluorocyclopentyl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(2,2-difluorocyclopentyl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(2,2-difluorocyclopentyl)methyl]cyclohexan-1-one is O=C1CCCCC1CC1CCCC1(F)F.
What is the InChIKey of 2-[(2,2-difluorocyclopentyl)methyl]cyclohexan-1-one?
The InChIKey is QOXHWLNIGRACGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2O/c13-12(14)7-3-5-10(12)8-9-4-1-2-6-11(9)15/h9-10H,1-8H2.
What are the key properties of 2-[(2,2-difluorocyclopentyl)methyl]cyclohexan-1-one?
2-[(2,2-difluorocyclopentyl)methyl]cyclohexan-1-one has a molecular weight of 216.27 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluorocyclopentyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 130905676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).