1-(3,3-difluoro-4-methylpiperidin-4-yl)ethanone

C8H13F2NO — CID 158704739

IUPAC1-(3,3-difluoro-4-methylpiperidin-4-yl)ethanone
SMILESCC(=O)C1(C)CCNCC1(F)F
InChIInChI=1S/C8H13F2NO/c1-6(12)7(2)3-4-11-5-8(7,9)10/h11H,3-5H2,1-2H3
InChIKeyKSYYUZNBTOJUQR-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.21
Rot. Bonds1

About 1-(3,3-difluoro-4-methylpiperidin-4-yl)ethanone

1-(3,3-difluoro-4-methylpiperidin-4-yl)ethanone (PubChem CID 158704739) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 1-(3,3-difluoro-4-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3,3-difluoro-4-methylpiperidin-4-yl)ethanone
PubChem CID158704739
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name1-(3,3-difluoro-4-methylpiperidin-4-yl)ethanone
SMILESCC(=O)C1(C)CCNCC1(F)F
InChIInChI=1S/C8H13F2NO/c1-6(12)7(2)3-4-11-5-8(7,9)10/h11H,3-5H2,1-2H3
InChIKeyKSYYUZNBTOJUQR-UHFFFAOYSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoro-1-(piperidin-4-yl)ethan-1-one
CID 45257662
4-ethyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 55174367
1-(4-Fluoropiperidin-4-yl)ethanone
CID 58293877
4-methyl-N-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 63226854
4-(Trifluoroacetyl)piperidine hydrochloride
CID 71299628
(4S)-4-(trifluoromethyl)piperidin-3-one
CID 96737510
1,1-Difluoro-1-piperidin-4-ylpropan-2-one
CID 105436777
3,3-Difluoro-5,5-dimethylpiperidin-4-one
CID 130812660
1-[4-(3-Fluoropropyl)piperidin-4-yl]ethanone
CID 145418526
1-[4-(Trifluoromethyl)piperidin-4-yl]propan-1-one
CID 146551401
1-[4-(2,2-Difluoroethyl)piperidin-4-yl]-2-methylpropan-1-one
CID 146551408
1-(3,3-Difluoropiperidin-4-yl)-2-methylpropan-1-one
CID 146551420

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-4-methylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(3,3-difluoro-4-methylpiperidin-4-yl)ethanone (CID 158704739) is 1-(3,3-difluoro-4-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(3,3-difluoro-4-methylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(3,3-difluoro-4-methylpiperidin-4-yl)ethanone is CC(=O)C1(C)CCNCC1(F)F.
What is the InChIKey of 1-(3,3-difluoro-4-methylpiperidin-4-yl)ethanone?
The InChIKey is KSYYUZNBTOJUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-6(12)7(2)3-4-11-5-8(7,9)10/h11H,3-5H2,1-2H3.
What are the key properties of 1-(3,3-difluoro-4-methylpiperidin-4-yl)ethanone?
1-(3,3-difluoro-4-methylpiperidin-4-yl)ethanone has a molecular weight of 177.19 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-4-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 158704739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).