(5R)-5-(difluoromethyl)piperidin-3-one

C6H9F2NO — CID 154470363

IUPAC(5R)-5-(difluoromethyl)piperidin-3-one
SMILESO=C1CNC[C@H](C(F)F)C1
InChIInChI=1S/C6H9F2NO/c7-6(8)4-1-5(10)3-9-2-4/h4,6,9H,1-3H2/t4-/m1/s1
InChIKeySQQFPWFSOBLYMU-SCSAIBSYSA-N
MW149.14 g/mol
LogP0.43
Rot. Bonds1

About (5R)-5-(difluoromethyl)piperidin-3-one

(5R)-5-(difluoromethyl)piperidin-3-one (PubChem CID 154470363) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is (5R)-5-(difluoromethyl)piperidin-3-one.

Molecular Properties

Compound Name(5R)-5-(difluoromethyl)piperidin-3-one
PubChem CID154470363
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name(5R)-5-(difluoromethyl)piperidin-3-one
SMILESO=C1CNC[C@H](C(F)F)C1
InChIInChI=1S/C6H9F2NO/c7-6(8)4-1-5(10)3-9-2-4/h4,6,9H,1-3H2/t4-/m1/s1
InChIKeySQQFPWFSOBLYMU-SCSAIBSYSA-N
XLogP0.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(difluoromethyl)piperidin-3-one?
The IUPAC name of (5R)-5-(difluoromethyl)piperidin-3-one (CID 154470363) is (5R)-5-(difluoromethyl)piperidin-3-one.
What is the SMILES notation for (5R)-5-(difluoromethyl)piperidin-3-one?
The canonical SMILES for (5R)-5-(difluoromethyl)piperidin-3-one is O=C1CNC[C@H](C(F)F)C1.
What is the InChIKey of (5R)-5-(difluoromethyl)piperidin-3-one?
The InChIKey is SQQFPWFSOBLYMU-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-6(8)4-1-5(10)3-9-2-4/h4,6,9H,1-3H2/t4-/m1/s1.
What are the key properties of (5R)-5-(difluoromethyl)piperidin-3-one?
(5R)-5-(difluoromethyl)piperidin-3-one has a molecular weight of 149.14 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(difluoromethyl)piperidin-3-one is sourced from PubChem (CID 154470363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).