5-methyl-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-3-carboxylic acid

C10H13F4NO3 — CID 122118908

IUPAC5-methyl-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)C(F)(F)C(F)F)C1
InChIInChI=1S/C10H13F4NO3/c1-5-2-6(7(16)17)4-15(3-5)9(18)10(13,14)8(11)12/h5-6,8H,2-4H2,1H3,(H,16,17)
InChIKeyUALFRPSMCTWANA-UHFFFAOYSA-N
MW271.21 g/mol
LogP1.46
Rot. Bonds3

About 5-methyl-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-3-carboxylic acid

5-methyl-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-3-carboxylic acid (PubChem CID 122118908) has the molecular formula C10H13F4NO3 and a molecular weight of 271.21 g/mol. Its IUPAC name is 5-methyl-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-3-carboxylic acid
PubChem CID122118908
Molecular FormulaC10H13F4NO3
Molecular Weight271.21 g/mol
Exact Mass271.08
IUPAC Name5-methyl-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)C(F)(F)C(F)F)C1
InChIInChI=1S/C10H13F4NO3/c1-5-2-6(7(16)17)4-15(3-5)9(18)10(13,14)8(11)12/h5-6,8H,2-4H2,1H3,(H,16,17)
InChIKeyUALFRPSMCTWANA-UHFFFAOYSA-N
XLogP1.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-3-carboxylic acid
CID 103803979
1-(2,2-dimethylbutanoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119761
5-methyl-1-(1,1,1-trifluoropropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122103139
1-[2,2-difluoro-2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119811
1-(2,4-dimethylpyrrolidin-1-yl)-2,2,3,3-tetrafluoropropan-1-one
CID 103733960
5-methyl-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboxylic acid
CID 122118864
5-methyl-1-[[(2S)-1,1,1-trifluorobutan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122102931
5-methyl-1-[2-(2,2,3,3-tetrafluoropropoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122123623
5-methyl-1-[(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122102824
5-methyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122119751
1-(2,2-dimethyl-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119697
1-but-3-ynoyl-5-methylpiperidine-3-carboxylic acid
CID 130987653

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-3-carboxylic acid (CID 122118908) is 5-methyl-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)C(F)(F)C(F)F)C1.
What is the InChIKey of 5-methyl-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-3-carboxylic acid?
The InChIKey is UALFRPSMCTWANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4NO3/c1-5-2-6(7(16)17)4-15(3-5)9(18)10(13,14)8(11)12/h5-6,8H,2-4H2,1H3,(H,16,17).
What are the key properties of 5-methyl-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-3-carboxylic acid?
5-methyl-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-3-carboxylic acid has a molecular weight of 271.21 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122118908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).