3-(difluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride

C6H10ClF2NO2 — CID 119056923

IUPAC3-(difluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(C(F)F)CCNC1
InChIInChI=1S/C6H9F2NO2.ClH/c7-4(8)6(5(10)11)1-2-9-3-6;/h4,9H,1-3H2,(H,10,11);1H
InChIKeyGMOUEUYOXNWQPS-UHFFFAOYSA-N
MW201.60 g/mol
LogP0.74
Rot. Bonds2

About 3-(difluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride

3-(difluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 119056923) has the molecular formula C6H10ClF2NO2 and a molecular weight of 201.60 g/mol. Its IUPAC name is 3-(difluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID119056923
Molecular FormulaC6H10ClF2NO2
Molecular Weight201.60 g/mol
Exact Mass201.04
IUPAC Name3-(difluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(C(F)F)CCNC1
InChIInChI=1S/C6H9F2NO2.ClH/c7-4(8)6(5(10)11)1-2-9-3-6;/h4,9H,1-3H2,(H,10,11);1H
InChIKeyGMOUEUYOXNWQPS-UHFFFAOYSA-N
XLogP0.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 3-(difluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride (CID 119056923) is 3-(difluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(difluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(difluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1(C(F)F)CCNC1.
What is the InChIKey of 3-(difluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is GMOUEUYOXNWQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2.ClH/c7-4(8)6(5(10)11)1-2-9-3-6;/h4,9H,1-3H2,(H,10,11);1H.
What are the key properties of 3-(difluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride?
3-(difluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 201.60 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 119056923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).