3,5-difluoro-3-methylpiperidin-4-one

C6H9F2NO — CID 156802315

IUPAC3,5-difluoro-3-methylpiperidin-4-one
SMILESCC1(F)CNCC(F)C1=O
InChIInChI=1S/C6H9F2NO/c1-6(8)3-9-2-4(7)5(6)10/h4,9H,2-3H2,1H3
InChIKeySFAVHIRLGXANDP-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.22
Rot. Bonds

About 3,5-difluoro-3-methylpiperidin-4-one

3,5-difluoro-3-methylpiperidin-4-one (PubChem CID 156802315) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 3,5-difluoro-3-methylpiperidin-4-one.

Molecular Properties

Compound Name3,5-difluoro-3-methylpiperidin-4-one
PubChem CID156802315
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name3,5-difluoro-3-methylpiperidin-4-one
SMILESCC1(F)CNCC(F)C1=O
InChIInChI=1S/C6H9F2NO/c1-6(8)3-9-2-4(7)5(6)10/h4,9H,2-3H2,1H3
InChIKeySFAVHIRLGXANDP-UHFFFAOYSA-N
XLogP0.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylpiperidin-4-one
CID 12284277
3-Methyl-piperidin-4-one hydrochloride
CID 22728864
rac-(3R,5R)-3,5-dimethylpiperidin-4-one hydrochloride
CID 122164161
(3R,5S)-3,5-dimethylpiperidin-4-one hydrochloride
CID 145913614
(3r,5s)-3,5-Dimethylpiperidin-4-one
CID 100975212
3,5-Dimethylpiperidin-4-one
CID 14984466
3,3-Dimethylpiperidin-4-one
CID 22278837
3-Fluoropiperidin-4-one
CID 25210511
(S)-3-Fluoropiperidin-4-one
CID 38372293
1-(4-Fluoropiperidin-4-yl)ethanone
CID 58293877
3,3-Difluoropiperidin-4-one hydrochloride
CID 72207601
3,3-Difluoro-4-piperidinone
CID 72207602

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-3-methylpiperidin-4-one?
The IUPAC name of 3,5-difluoro-3-methylpiperidin-4-one (CID 156802315) is 3,5-difluoro-3-methylpiperidin-4-one.
What is the SMILES notation for 3,5-difluoro-3-methylpiperidin-4-one?
The canonical SMILES for 3,5-difluoro-3-methylpiperidin-4-one is CC1(F)CNCC(F)C1=O.
What is the InChIKey of 3,5-difluoro-3-methylpiperidin-4-one?
The InChIKey is SFAVHIRLGXANDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c1-6(8)3-9-2-4(7)5(6)10/h4,9H,2-3H2,1H3.
What are the key properties of 3,5-difluoro-3-methylpiperidin-4-one?
3,5-difluoro-3-methylpiperidin-4-one has a molecular weight of 149.14 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-3-methylpiperidin-4-one is sourced from PubChem (CID 156802315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).