4,4-difluoropiperidine-2-carboxylic acid

C6H9F2NO2 — CID 75088982

IUPAC4,4-difluoropiperidine-2-carboxylic acid
SMILESO=C(O)C1CC(F)(F)CCN1
InChIInChI=1S/C6H9F2NO2/c7-6(8)1-2-9-4(3-6)5(10)11/h4,9H,1-3H2,(H,10,11)
InChIKeyGEKRVNGNCNQGJM-UHFFFAOYSA-N
MW165.14 g/mol
LogP0.46
Rot. Bonds1

About 4,4-difluoropiperidine-2-carboxylic acid

4,4-difluoropiperidine-2-carboxylic acid (PubChem CID 75088982) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 4,4-difluoropiperidine-2-carboxylic acid.

Molecular Properties

Compound Name4,4-difluoropiperidine-2-carboxylic acid
PubChem CID75088982
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name4,4-difluoropiperidine-2-carboxylic acid
SMILESO=C(O)C1CC(F)(F)CCN1
InChIInChI=1S/C6H9F2NO2/c7-6(8)1-2-9-4(3-6)5(10)11/h4,9H,1-3H2,(H,10,11)
InChIKeyGEKRVNGNCNQGJM-UHFFFAOYSA-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

Pipecolic Acid
CID 849
Pipecolic acid, (-)-
CID 439227
Pipecolic acid, (+)-
CID 736316
L-pipecolate
CID 6931663
Piperidine-2-carboxylate
CID 25200477
(2R)-piperidin-1-ium-2-carboxylate
CID 6931662
2,6-Piperidinedicarboxylic acid
CID 557515
dl-Pipecolic acid hcl
CID 85923
(S)-pipecolate
CID 5460224
NoName_3265
CID 3815667
(2R,6S)-piperidine-2,6-dicarboxylic acid
CID 10942932
N2-(2,2,2-Trifluoroacetyl)-L-lysine
CID 2802360

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropiperidine-2-carboxylic acid?
The IUPAC name of 4,4-difluoropiperidine-2-carboxylic acid (CID 75088982) is 4,4-difluoropiperidine-2-carboxylic acid.
What is the SMILES notation for 4,4-difluoropiperidine-2-carboxylic acid?
The canonical SMILES for 4,4-difluoropiperidine-2-carboxylic acid is O=C(O)C1CC(F)(F)CCN1.
What is the InChIKey of 4,4-difluoropiperidine-2-carboxylic acid?
The InChIKey is GEKRVNGNCNQGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c7-6(8)1-2-9-4(3-6)5(10)11/h4,9H,1-3H2,(H,10,11).
What are the key properties of 4,4-difluoropiperidine-2-carboxylic acid?
4,4-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 4,4-difluoropiperidine-2-carboxylic acid is sourced from PubChem (CID 75088982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).