3-(3,3-difluoropiperidin-4-yl)propanoic acid

C8H13F2NO2 — CID 105446725

IUPAC3-(3,3-difluoropiperidin-4-yl)propanoic acid
SMILESO=C(O)CCC1CCNCC1(F)F
InChIInChI=1S/C8H13F2NO2/c9-8(10)5-11-4-3-6(8)1-2-7(12)13/h6,11H,1-5H2,(H,12,13)
InChIKeyZFOHJPRWMNOSBK-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.10
Rot. Bonds3

About 3-(3,3-difluoropiperidin-4-yl)propanoic acid

3-(3,3-difluoropiperidin-4-yl)propanoic acid (PubChem CID 105446725) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 3-(3,3-difluoropiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(3,3-difluoropiperidin-4-yl)propanoic acid
PubChem CID105446725
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name3-(3,3-difluoropiperidin-4-yl)propanoic acid
SMILESO=C(O)CCC1CCNCC1(F)F
InChIInChI=1S/C8H13F2NO2/c9-8(10)5-11-4-3-6(8)1-2-7(12)13/h6,11H,1-5H2,(H,12,13)
InChIKeyZFOHJPRWMNOSBK-UHFFFAOYSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-4-propylpiperidine
CID 84651633
(4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride
CID 163342247
3,3-difluoro-4-(2-methylpropyl)piperidine;ethane
CID 160527245
3-pyrrolidin-3-ylpropanoic acid
CID 12825648
4,4-difluoro-5-propylazepane
CID 84656071
3-(2,2-dichlorocyclopropyl)propanoic acid
CID 122163708
3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
CID 125181118
3-[(2R)-4,4-difluoropyrrolidin-2-yl]propanoic acid
CID 118102818
4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine
CID 84701340
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 134543037
ethyl 3,3-difluoropiperidine-4-carboxylate
CID 105446715
3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride
CID 141050342

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropiperidin-4-yl)propanoic acid?
The IUPAC name of 3-(3,3-difluoropiperidin-4-yl)propanoic acid (CID 105446725) is 3-(3,3-difluoropiperidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(3,3-difluoropiperidin-4-yl)propanoic acid?
The canonical SMILES for 3-(3,3-difluoropiperidin-4-yl)propanoic acid is O=C(O)CCC1CCNCC1(F)F.
What is the InChIKey of 3-(3,3-difluoropiperidin-4-yl)propanoic acid?
The InChIKey is ZFOHJPRWMNOSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c9-8(10)5-11-4-3-6(8)1-2-7(12)13/h6,11H,1-5H2,(H,12,13).
What are the key properties of 3-(3,3-difluoropiperidin-4-yl)propanoic acid?
3-(3,3-difluoropiperidin-4-yl)propanoic acid has a molecular weight of 193.19 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropiperidin-4-yl)propanoic acid is sourced from PubChem (CID 105446725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).