2-(3,3-difluoropiperidin-1-yl)propanoic acid

C8H13F2NO2 — CID 115019304

IUPAC2-(3,3-difluoropiperidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCCC(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c1-6(7(12)13)11-4-2-3-8(9,10)5-11/h6H,2-5H2,1H3,(H,12,13)
InChIKeyMDKOTLVQHHYPFJ-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.19
Rot. Bonds2

About 2-(3,3-difluoropiperidin-1-yl)propanoic acid

2-(3,3-difluoropiperidin-1-yl)propanoic acid (PubChem CID 115019304) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2-(3,3-difluoropiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3,3-difluoropiperidin-1-yl)propanoic acid
PubChem CID115019304
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2-(3,3-difluoropiperidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCCC(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c1-6(7(12)13)11-4-2-3-8(9,10)5-11/h6H,2-5H2,1H3,(H,12,13)
InChIKeyMDKOTLVQHHYPFJ-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Piperidin-1-yl)propanoic acid hydrochloride
CID 12455410
2-Piperidin-1-yl-propionic acid
CID 3152951
Potassium 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoate
CID 23717380
5,5-Difluoro-1-methylpiperidine-2-carboxylic acid
CID 55296735
2-[(1-Methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 59870785
2-Piperidin-1-ylacetic acid;2,2,2-trifluoroacetic acid
CID 70060753
2-(4,4-Difluoropiperidin-1-yl)acetic acid
CID 84614619
2-(4,4-Difluoropiperidin-1-yl)-2-methylpropanoic acid
CID 89692937
(2S)-1-(2,2,2-trifluoroethyl)piperidine-2-carboxylic acid
CID 89694832
4,4,4-Trifluoro-3-methyl-2-(4-methylpiperidin-1-yl)butanoic acid
CID 90023610
2-(3,3-Difluoropiperidin-1-yl)acetic acid
CID 115015303
4,4-Difluoro-1-methylpiperidine-2-carboxylic acid
CID 117891668

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropiperidin-1-yl)propanoic acid?
The IUPAC name of 2-(3,3-difluoropiperidin-1-yl)propanoic acid (CID 115019304) is 2-(3,3-difluoropiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(3,3-difluoropiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-(3,3-difluoropiperidin-1-yl)propanoic acid is CC(C(=O)O)N1CCCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoropiperidin-1-yl)propanoic acid?
The InChIKey is MDKOTLVQHHYPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-6(7(12)13)11-4-2-3-8(9,10)5-11/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-(3,3-difluoropiperidin-1-yl)propanoic acid?
2-(3,3-difluoropiperidin-1-yl)propanoic acid has a molecular weight of 193.19 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropiperidin-1-yl)propanoic acid is sourced from PubChem (CID 115019304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).