4,4-difluoropiperidine-2-carboxylic acid;hydrochloride

C6H10ClF2NO2 — CID 137468597

IUPAC4,4-difluoropiperidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC(F)(F)CCN1
InChIInChI=1S/C6H9F2NO2.ClH/c7-6(8)1-2-9-4(3-6)5(10)11;/h4,9H,1-3H2,(H,10,11);1H
InChIKeySOUCQGWACSXVHT-UHFFFAOYSA-N
MW201.60 g/mol
LogP0.88
Rot. Bonds1

About 4,4-difluoropiperidine-2-carboxylic acid;hydrochloride

4,4-difluoropiperidine-2-carboxylic acid;hydrochloride (PubChem CID 137468597) has the molecular formula C6H10ClF2NO2 and a molecular weight of 201.60 g/mol. Its IUPAC name is 4,4-difluoropiperidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4,4-difluoropiperidine-2-carboxylic acid;hydrochloride
PubChem CID137468597
Molecular FormulaC6H10ClF2NO2
Molecular Weight201.60 g/mol
Exact Mass201.04
IUPAC Name4,4-difluoropiperidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC(F)(F)CCN1
InChIInChI=1S/C6H9F2NO2.ClH/c7-6(8)1-2-9-4(3-6)5(10)11;/h4,9H,1-3H2,(H,10,11);1H
InChIKeySOUCQGWACSXVHT-UHFFFAOYSA-N
XLogP0.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.60
LogP ≤ 50.88
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
CID 5461049
CID 5461049

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropiperidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4,4-difluoropiperidine-2-carboxylic acid;hydrochloride (CID 137468597) is 4,4-difluoropiperidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4,4-difluoropiperidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4,4-difluoropiperidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1CC(F)(F)CCN1.
What is the InChIKey of 4,4-difluoropiperidine-2-carboxylic acid;hydrochloride?
The InChIKey is SOUCQGWACSXVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2.ClH/c7-6(8)1-2-9-4(3-6)5(10)11;/h4,9H,1-3H2,(H,10,11);1H.
What are the key properties of 4,4-difluoropiperidine-2-carboxylic acid;hydrochloride?
4,4-difluoropiperidine-2-carboxylic acid;hydrochloride has a molecular weight of 201.60 g/mol, XLogP of 0.88, 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;hydrochloride is sourced from PubChem (CID 137468597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).