1-(3,3-difluoropiperidin-1-yl)-4-hydroxybutan-1-one

C9H15F2NO2 — CID 116991457

IUPAC1-(3,3-difluoropiperidin-1-yl)-4-hydroxybutan-1-one
SMILESO=C(CCCO)N1CCCC(F)(F)C1
InChIInChI=1S/C9H15F2NO2/c10-9(11)4-2-5-12(7-9)8(14)3-1-6-13/h13H,1-7H2
InChIKeyCQBWWYLDHXMCGM-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.02
Rot. Bonds3

About 1-(3,3-difluoropiperidin-1-yl)-4-hydroxybutan-1-one

1-(3,3-difluoropiperidin-1-yl)-4-hydroxybutan-1-one (PubChem CID 116991457) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 1-(3,3-difluoropiperidin-1-yl)-4-hydroxybutan-1-one.

Molecular Properties

Compound Name1-(3,3-difluoropiperidin-1-yl)-4-hydroxybutan-1-one
PubChem CID116991457
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name1-(3,3-difluoropiperidin-1-yl)-4-hydroxybutan-1-one
SMILESO=C(CCCO)N1CCCC(F)(F)C1
InChIInChI=1S/C9H15F2NO2/c10-9(11)4-2-5-12(7-9)8(14)3-1-6-13/h13H,1-7H2
InChIKeyCQBWWYLDHXMCGM-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropiperidin-1-yl)-4-hydroxybutan-1-one?
The IUPAC name of 1-(3,3-difluoropiperidin-1-yl)-4-hydroxybutan-1-one (CID 116991457) is 1-(3,3-difluoropiperidin-1-yl)-4-hydroxybutan-1-one.
What is the SMILES notation for 1-(3,3-difluoropiperidin-1-yl)-4-hydroxybutan-1-one?
The canonical SMILES for 1-(3,3-difluoropiperidin-1-yl)-4-hydroxybutan-1-one is O=C(CCCO)N1CCCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoropiperidin-1-yl)-4-hydroxybutan-1-one?
The InChIKey is CQBWWYLDHXMCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c10-9(11)4-2-5-12(7-9)8(14)3-1-6-13/h13H,1-7H2.
What are the key properties of 1-(3,3-difluoropiperidin-1-yl)-4-hydroxybutan-1-one?
1-(3,3-difluoropiperidin-1-yl)-4-hydroxybutan-1-one has a molecular weight of 207.22 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropiperidin-1-yl)-4-hydroxybutan-1-one is sourced from PubChem (CID 116991457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).