(4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride

C6H10ClF2NO2 — CID 163342247

IUPAC(4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1CCNCC1(F)F
InChIInChI=1S/C6H9F2NO2.ClH/c7-6(8)3-9-2-1-4(6)5(10)11;/h4,9H,1-3H2,(H,10,11);1H/t4-;/m1./s1
InChIKeyKLTNSWQCMQTWFW-PGMHMLKASA-N
MW201.60 g/mol
LogP0.74
Rot. Bonds1

About (4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride

(4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride (PubChem CID 163342247) has the molecular formula C6H10ClF2NO2 and a molecular weight of 201.60 g/mol. Its IUPAC name is (4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride
PubChem CID163342247
Molecular FormulaC6H10ClF2NO2
Molecular Weight201.60 g/mol
Exact Mass201.04
IUPAC Name(4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1CCNCC1(F)F
InChIInChI=1S/C6H9F2NO2.ClH/c7-6(8)3-9-2-1-4(6)5(10)11;/h4,9H,1-3H2,(H,10,11);1H/t4-;/m1./s1
InChIKeyKLTNSWQCMQTWFW-PGMHMLKASA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3,3-difluoropiperidine-4-carboxylate
CID 105446715
3,3-difluoro-N-methoxypiperidine-4-carboxamide
CID 131047905
3,3-difluoro-N-methoxy-N-methylpiperidine-4-carboxamide
CID 130719412
3-ethyl-3-methylpiperidine-4-carboxylic acid
CID 84654143
3-(3,3-difluoropiperidin-4-yl)propanoic acid
CID 105446725
(1R)-2,2-difluorocycloheptane-1-carboxylic acid
CID 97297799
(1S,6R)-3-azabicyclo[4.1.0]heptane-1-carboxylic acid;hydrochloride
CID 71756356
(1S,6R)-7,7-difluoro-3-azabicyclo[4.1.0]heptane-1-carboxylic acid
CID 129320998
(1S,6S)-7,7-difluoro-3-azabicyclo[4.1.0]heptane-1-carboxylic acid
CID 129321000
5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride
CID 122163372
(4R)-3,3-difluoro-4-phenylpiperidine
CID 97032408
(4S)-3,3,4-trifluoroazepane;hydrochloride
CID 171991664

Frequently Asked Questions

What is the IUPAC name of (4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of (4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride (CID 163342247) is (4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for (4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for (4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)[C@H]1CCNCC1(F)F.
What is the InChIKey of (4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is KLTNSWQCMQTWFW-PGMHMLKASA-N. The full InChI is InChI=1S/C6H9F2NO2.ClH/c7-6(8)3-9-2-1-4(6)5(10)11;/h4,9H,1-3H2,(H,10,11);1H/t4-;/m1./s1.
What are the key properties of (4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride?
(4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 201.60 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 163342247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).