(2R)-4,4-difluoro-2-methylpyrrolidine-1-carboxylic acid

C6H9F2NO2 — CID 56605862

IUPAC(2R)-4,4-difluoro-2-methylpyrrolidine-1-carboxylic acid
SMILESC[C@@H]1CC(F)(F)CN1C(=O)O
InChIInChI=1S/C6H9F2NO2/c1-4-2-6(7,8)3-9(4)5(10)11/h4H,2-3H2,1H3,(H,10,11)/t4-/m1/s1
InChIKeyBIPJTYVAJRHSQJ-SCSAIBSYSA-N
MW165.14 g/mol
LogP1.39
Rot. Bonds

About (2R)-4,4-difluoro-2-methylpyrrolidine-1-carboxylic acid

(2R)-4,4-difluoro-2-methylpyrrolidine-1-carboxylic acid (PubChem CID 56605862) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is (2R)-4,4-difluoro-2-methylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-4,4-difluoro-2-methylpyrrolidine-1-carboxylic acid
PubChem CID56605862
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name(2R)-4,4-difluoro-2-methylpyrrolidine-1-carboxylic acid
SMILESC[C@@H]1CC(F)(F)CN1C(=O)O
InChIInChI=1S/C6H9F2NO2/c1-4-2-6(7,8)3-9(4)5(10)11/h4H,2-3H2,1H3,(H,10,11)/t4-/m1/s1
InChIKeyBIPJTYVAJRHSQJ-SCSAIBSYSA-N
XLogP1.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-difluoro-2-methylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-4,4-difluoro-2-methylpyrrolidine-1-carboxylic acid (CID 56605862) is (2R)-4,4-difluoro-2-methylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-4,4-difluoro-2-methylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-4,4-difluoro-2-methylpyrrolidine-1-carboxylic acid is C[C@@H]1CC(F)(F)CN1C(=O)O.
What is the InChIKey of (2R)-4,4-difluoro-2-methylpyrrolidine-1-carboxylic acid?
The InChIKey is BIPJTYVAJRHSQJ-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-4-2-6(7,8)3-9(4)5(10)11/h4H,2-3H2,1H3,(H,10,11)/t4-/m1/s1.
What are the key properties of (2R)-4,4-difluoro-2-methylpyrrolidine-1-carboxylic acid?
(2R)-4,4-difluoro-2-methylpyrrolidine-1-carboxylic acid has a molecular weight of 165.14 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-difluoro-2-methylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 56605862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).