2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-one

C13H21F2NO — CID 79553105

IUPAC2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1CC(F)F
InChIInChI=1S/C13H21F2NO/c14-13(15)9-16-8-4-3-6-11(16)10-5-1-2-7-12(10)17/h10-11,13H,1-9H2
InChIKeyPWPSKIWCAWAYFM-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.87
Rot. Bonds3

About 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-one

2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-one (PubChem CID 79553105) has the molecular formula C13H21F2NO and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-one
PubChem CID79553105
Molecular FormulaC13H21F2NO
Molecular Weight245.31 g/mol
Exact Mass245.16
IUPAC Name2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1CC(F)F
InChIInChI=1S/C13H21F2NO/c14-13(15)9-16-8-4-3-6-11(16)10-5-1-2-7-12(10)17/h10-11,13H,1-9H2
InChIKeyPWPSKIWCAWAYFM-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-one (CID 79553105) is 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCCN1CC(F)F.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-one?
The InChIKey is PWPSKIWCAWAYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO/c14-13(15)9-16-8-4-3-6-11(16)10-5-1-2-7-12(10)17/h10-11,13H,1-9H2.
What are the key properties of 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-one?
2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-one has a molecular weight of 245.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethyl)piperidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79553105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).