(3R,6R)-6-(1,1-difluoroethyl)piperidine-3-carboxylic acid

C8H13F2NO2 — CID 162591493

IUPAC(3R,6R)-6-(1,1-difluoroethyl)piperidine-3-carboxylic acid
SMILESCC(F)(F)[C@H]1CC[C@@H](C(=O)O)CN1
InChIInChI=1S/C8H13F2NO2/c1-8(9,10)6-3-2-5(4-11-6)7(12)13/h5-6,11H,2-4H2,1H3,(H,12,13)/t5-,6-/m1/s1
InChIKeyIMXZNJQEEOJDCG-PHDIDXHHSA-N
MW193.19 g/mol
LogP1.09
Rot. Bonds2

About (3R,6R)-6-(1,1-difluoroethyl)piperidine-3-carboxylic acid

(3R,6R)-6-(1,1-difluoroethyl)piperidine-3-carboxylic acid (PubChem CID 162591493) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is (3R,6R)-6-(1,1-difluoroethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,6R)-6-(1,1-difluoroethyl)piperidine-3-carboxylic acid
PubChem CID162591493
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name(3R,6R)-6-(1,1-difluoroethyl)piperidine-3-carboxylic acid
SMILESCC(F)(F)[C@H]1CC[C@@H](C(=O)O)CN1
InChIInChI=1S/C8H13F2NO2/c1-8(9,10)6-3-2-5(4-11-6)7(12)13/h5-6,11H,2-4H2,1H3,(H,12,13)/t5-,6-/m1/s1
InChIKeyIMXZNJQEEOJDCG-PHDIDXHHSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxycarbonylpiperidine-3-carboxylic acid
CID 19699657
(3R,6R)-6-(hydroxymethyl)piperidine-3-carboxylic acid
CID 91799028
6-cyclohexylpiperidine-3-carboxylic acid
CID 83916848
(2S,4S)-2-(trifluoromethyl)piperidine-4-carboxylic acid
CID 124547925
5-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117116960
2-[(3S,6S)-6-(trifluoromethyl)piperidin-3-yl]acetic acid
CID 125458470
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 79805526
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
(3S,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid;2-methylpropan-2-amine
CID 174521109
4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
CID 14788218
4-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673501

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-(1,1-difluoroethyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R,6R)-6-(1,1-difluoroethyl)piperidine-3-carboxylic acid (CID 162591493) is (3R,6R)-6-(1,1-difluoroethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,6R)-6-(1,1-difluoroethyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R,6R)-6-(1,1-difluoroethyl)piperidine-3-carboxylic acid is CC(F)(F)[C@H]1CC[C@@H](C(=O)O)CN1.
What is the InChIKey of (3R,6R)-6-(1,1-difluoroethyl)piperidine-3-carboxylic acid?
The InChIKey is IMXZNJQEEOJDCG-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-8(9,10)6-3-2-5(4-11-6)7(12)13/h5-6,11H,2-4H2,1H3,(H,12,13)/t5-,6-/m1/s1.
What are the key properties of (3R,6R)-6-(1,1-difluoroethyl)piperidine-3-carboxylic acid?
(3R,6R)-6-(1,1-difluoroethyl)piperidine-3-carboxylic acid has a molecular weight of 193.19 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-6-(1,1-difluoroethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 162591493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).