(2S)-1-(2,2-difluoroacetyl)piperidine-2-carboxylic acid

C8H11F2NO3 — CID 103513364

IUPAC(2S)-1-(2,2-difluoroacetyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)C(F)F
InChIInChI=1S/C8H11F2NO3/c9-6(10)7(12)11-4-2-1-3-5(11)8(13)14/h5-6H,1-4H2,(H,13,14)/t5-/m0/s1
InChIKeyAQMSHXUKVCLZTC-YFKPBYRVSA-N
MW207.18 g/mol
LogP0.72
Rot. Bonds2

About (2S)-1-(2,2-difluoroacetyl)piperidine-2-carboxylic acid

(2S)-1-(2,2-difluoroacetyl)piperidine-2-carboxylic acid (PubChem CID 103513364) has the molecular formula C8H11F2NO3 and a molecular weight of 207.18 g/mol. Its IUPAC name is (2S)-1-(2,2-difluoroacetyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,2-difluoroacetyl)piperidine-2-carboxylic acid
PubChem CID103513364
Molecular FormulaC8H11F2NO3
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Name(2S)-1-(2,2-difluoroacetyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)C(F)F
InChIInChI=1S/C8H11F2NO3/c9-6(10)7(12)11-4-2-1-3-5(11)8(13)14/h5-6H,1-4H2,(H,13,14)/t5-/m0/s1
InChIKeyAQMSHXUKVCLZTC-YFKPBYRVSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate
CID 103514360
1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
CID 78996683
1-(2-aminopropanoyl)azepane-2-carboxylic acid
CID 64564461
(2R)-1-(2-cyclopropylpropanoyl)piperidine-2-carboxylic acid
CID 83146744
(2R)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid
CID 103953818
1-(2-amino-3-methylbutanoyl)azepane-2-carboxylic acid
CID 64562703
1-(2-propylpentanoyl)piperidine-2-carboxylic acid
CID 53215619
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide
CID 103515226
(2R)-1-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]piperidine-2-carboxylic acid
CID 79034494
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,2-difluoroacetyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,2-difluoroacetyl)piperidine-2-carboxylic acid (CID 103513364) is (2S)-1-(2,2-difluoroacetyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,2-difluoroacetyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,2-difluoroacetyl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1C(=O)C(F)F.
What is the InChIKey of (2S)-1-(2,2-difluoroacetyl)piperidine-2-carboxylic acid?
The InChIKey is AQMSHXUKVCLZTC-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11F2NO3/c9-6(10)7(12)11-4-2-1-3-5(11)8(13)14/h5-6H,1-4H2,(H,13,14)/t5-/m0/s1.
What are the key properties of (2S)-1-(2,2-difluoroacetyl)piperidine-2-carboxylic acid?
(2S)-1-(2,2-difluoroacetyl)piperidine-2-carboxylic acid has a molecular weight of 207.18 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,2-difluoroacetyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 103513364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).