1-(4,4-difluoropiperidin-1-yl)propan-2-one

C8H13F2NO — CID 59854609

IUPAC1-(4,4-difluoropiperidin-1-yl)propan-2-one
SMILESCC(=O)CN1CCC(F)(F)CC1
InChIInChI=1S/C8H13F2NO/c1-7(12)6-11-4-2-8(9,10)3-5-11/h2-6H2,1H3
InChIKeyKEZBYOVCHBAYJO-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.31
Rot. Bonds2

About 1-(4,4-difluoropiperidin-1-yl)propan-2-one

1-(4,4-difluoropiperidin-1-yl)propan-2-one (PubChem CID 59854609) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)propan-2-one
PubChem CID59854609
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name1-(4,4-difluoropiperidin-1-yl)propan-2-one
SMILESCC(=O)CN1CCC(F)(F)CC1
InChIInChI=1S/C8H13F2NO/c1-7(12)6-11-4-2-8(9,10)3-5-11/h2-6H2,1H3
InChIKeyKEZBYOVCHBAYJO-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Piperidin-1-yl)propan-2-one hydrochloride
CID 67491961
1-Piperidinoacetone
CID 81243
1-(2,2,2-Trifluoroethyl)piperidin-4-one
CID 17840009
1-(2,2-Difluoroethyl)piperidin-4-one
CID 47002711
1-(2,2,2-Trifluoroethyl)piperidin-3-one
CID 81716293
1-(2-Fluoropropyl)piperidin-4-one
CID 101432304
1-(1-Piperidinyl)-2-butanone
CID 12749133
1-(1,2,2-Trifluoroethyl)piperidin-4-one
CID 17840010
1-(3,3-Difluoropropyl)piperidin-4-one
CID 18740965
1-Methyl-1-(trifluoromethyl)piperidin-1-ium-3-one
CID 20802238
4-(3,3-Difluoropiperidin-1-yl)butan-2-one
CID 58245670
CID 59303790
CID 59303790

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)propan-2-one?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)propan-2-one (CID 59854609) is 1-(4,4-difluoropiperidin-1-yl)propan-2-one.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)propan-2-one?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)propan-2-one is CC(=O)CN1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)propan-2-one?
The InChIKey is KEZBYOVCHBAYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-7(12)6-11-4-2-8(9,10)3-5-11/h2-6H2,1H3.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)propan-2-one?
1-(4,4-difluoropiperidin-1-yl)propan-2-one has a molecular weight of 177.19 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)propan-2-one is sourced from PubChem (CID 59854609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).