(2S)-5,5-difluoropiperidine-2-carboxylic acid

C6H9F2NO2 — CID 45082546

IUPAC(2S)-5,5-difluoropiperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(F)(F)CN1
InChIInChI=1S/C6H9F2NO2/c7-6(8)2-1-4(5(10)11)9-3-6/h4,9H,1-3H2,(H,10,11)/t4-/m0/s1
InChIKeyBFZRDTSYFQNDDT-BYPYZUCNSA-N
MW165.14 g/mol
LogP0.46
Rot. Bonds1

About (2S)-5,5-difluoropiperidine-2-carboxylic acid

(2S)-5,5-difluoropiperidine-2-carboxylic acid (PubChem CID 45082546) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is (2S)-5,5-difluoropiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-5,5-difluoropiperidine-2-carboxylic acid
PubChem CID45082546
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name(2S)-5,5-difluoropiperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(F)(F)CN1
InChIInChI=1S/C6H9F2NO2/c7-6(8)2-1-4(5(10)11)9-3-6/h4,9H,1-3H2,(H,10,11)/t4-/m0/s1
InChIKeyBFZRDTSYFQNDDT-BYPYZUCNSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid
CID 154707113
(2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 170166786
azetidine-2-carboxylic acid;hydrochloride
CID 45358168
(6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride
CID 162760358
(2S)-5,5-dimethylpyrrolidine-2-carboxylic acid;hydrochloride
CID 162341760
[(2S)-5,5-difluoropiperidin-2-yl]methanol
CID 97357063
(2S)-4,4-dibromopyrrolidine-2-carboxylic acid
CID 118556708
2,2-difluoro-4-oxa-7-azaspiro[2.5]octane-6-carboxylic acid
CID 162760712
ethane;(2R)-piperidine-2-carboxylic acid
CID 157030734
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769

Frequently Asked Questions

What is the IUPAC name of (2S)-5,5-difluoropiperidine-2-carboxylic acid?
The IUPAC name of (2S)-5,5-difluoropiperidine-2-carboxylic acid (CID 45082546) is (2S)-5,5-difluoropiperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-5,5-difluoropiperidine-2-carboxylic acid?
The canonical SMILES for (2S)-5,5-difluoropiperidine-2-carboxylic acid is O=C(O)[C@@H]1CCC(F)(F)CN1.
What is the InChIKey of (2S)-5,5-difluoropiperidine-2-carboxylic acid?
The InChIKey is BFZRDTSYFQNDDT-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9F2NO2/c7-6(8)2-1-4(5(10)11)9-3-6/h4,9H,1-3H2,(H,10,11)/t4-/m0/s1.
What are the key properties of (2S)-5,5-difluoropiperidine-2-carboxylic acid?
(2S)-5,5-difluoropiperidine-2-carboxylic acid has a molecular weight of 165.14 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5,5-difluoropiperidine-2-carboxylic acid is sourced from PubChem (CID 45082546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).