(3R)-1-(2,2-difluoroethyl)pyrrolidine-3-carboxylic acid

C7H11F2NO2 — CID 89261207

IUPAC(3R)-1-(2,2-difluoroethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(CC(F)F)C1
InChIInChI=1S/C7H11F2NO2/c8-6(9)4-10-2-1-5(3-10)7(11)12/h5-6H,1-4H2,(H,11,12)/t5-/m1/s1
InChIKeyLFMBNUXDRZTUJQ-RXMQYKEDSA-N
MW179.17 g/mol
LogP0.66
Rot. Bonds3

About (3R)-1-(2,2-difluoroethyl)pyrrolidine-3-carboxylic acid

(3R)-1-(2,2-difluoroethyl)pyrrolidine-3-carboxylic acid (PubChem CID 89261207) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is (3R)-1-(2,2-difluoroethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2,2-difluoroethyl)pyrrolidine-3-carboxylic acid
PubChem CID89261207
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name(3R)-1-(2,2-difluoroethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(CC(F)F)C1
InChIInChI=1S/C7H11F2NO2/c8-6(9)4-10-2-1-5(3-10)7(11)12/h5-6H,1-4H2,(H,11,12)/t5-/m1/s1
InChIKeyLFMBNUXDRZTUJQ-RXMQYKEDSA-N
XLogP0.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylpyrrolidine-3-carboxylic acid
CID 322598
5-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
CID 24704733
1-Methylpyrrolidine-3-carboxylic acid hydrochloride
CID 42958928
(3S,4S)-4-(Trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 90424808
1-Ethylpyrrolidine-3-carboxylic acid hydrochloride
CID 137318666
(3r,4r)-1-(2,2-Difluoroethyl)pyrrolidine-3,4-dicarboxylic acid
CID 59800159
1-(2,2-Difluoroethyl)pyrrolidine-3,4-dicarboxylic acid
CID 74383201
rac-(3R,4R)-4-(difluoromethyl)pyrrolidine-3-carboxylic acid
CID 54595330
1-Methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708735
4,4-Difluoropyrrolidine-3-carboxylic acid hydrochloride
CID 84719098
1-(2,2,2-Trifluoroethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 91647567
1-Methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 122236427

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2-difluoroethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2,2-difluoroethyl)pyrrolidine-3-carboxylic acid (CID 89261207) is (3R)-1-(2,2-difluoroethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2,2-difluoroethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2,2-difluoroethyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(CC(F)F)C1.
What is the InChIKey of (3R)-1-(2,2-difluoroethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is LFMBNUXDRZTUJQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-6(9)4-10-2-1-5(3-10)7(11)12/h5-6H,1-4H2,(H,11,12)/t5-/m1/s1.
What are the key properties of (3R)-1-(2,2-difluoroethyl)pyrrolidine-3-carboxylic acid?
(3R)-1-(2,2-difluoroethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 179.17 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,2-difluoroethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 89261207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).