(2R)-4-(difluoromethyl)pyrrolidine-1,2-dicarboxylic acid

C7H9F2NO4 — CID 175571168

IUPAC(2R)-4-(difluoromethyl)pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)[C@H]1CC(C(F)F)CN1C(=O)O
InChIInChI=1S/C7H9F2NO4/c8-5(9)3-1-4(6(11)12)10(2-3)7(13)14/h3-5H,1-2H2,(H,11,12)(H,13,14)/t3?,4-/m1/s1
InChIKeyZOSOFKAPUSHYOU-SRBOSORUSA-N
MW209.15 g/mol
LogP0.70
Rot. Bonds2

About (2R)-4-(difluoromethyl)pyrrolidine-1,2-dicarboxylic acid

(2R)-4-(difluoromethyl)pyrrolidine-1,2-dicarboxylic acid (PubChem CID 175571168) has the molecular formula C7H9F2NO4 and a molecular weight of 209.15 g/mol. Its IUPAC name is (2R)-4-(difluoromethyl)pyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2R)-4-(difluoromethyl)pyrrolidine-1,2-dicarboxylic acid
PubChem CID175571168
Molecular FormulaC7H9F2NO4
Molecular Weight209.15 g/mol
Exact Mass209.05
IUPAC Name(2R)-4-(difluoromethyl)pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)[C@H]1CC(C(F)F)CN1C(=O)O
InChIInChI=1S/C7H9F2NO4/c8-5(9)3-1-4(6(11)12)10(2-3)7(13)14/h3-5H,1-2H2,(H,11,12)(H,13,14)/t3?,4-/m1/s1
InChIKeyZOSOFKAPUSHYOU-SRBOSORUSA-N
XLogP0.70
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.15
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(difluoromethyl)pyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2R)-4-(difluoromethyl)pyrrolidine-1,2-dicarboxylic acid (CID 175571168) is (2R)-4-(difluoromethyl)pyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2R)-4-(difluoromethyl)pyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2R)-4-(difluoromethyl)pyrrolidine-1,2-dicarboxylic acid is O=C(O)[C@H]1CC(C(F)F)CN1C(=O)O.
What is the InChIKey of (2R)-4-(difluoromethyl)pyrrolidine-1,2-dicarboxylic acid?
The InChIKey is ZOSOFKAPUSHYOU-SRBOSORUSA-N. The full InChI is InChI=1S/C7H9F2NO4/c8-5(9)3-1-4(6(11)12)10(2-3)7(13)14/h3-5H,1-2H2,(H,11,12)(H,13,14)/t3?,4-/m1/s1.
What are the key properties of (2R)-4-(difluoromethyl)pyrrolidine-1,2-dicarboxylic acid?
(2R)-4-(difluoromethyl)pyrrolidine-1,2-dicarboxylic acid has a molecular weight of 209.15 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(difluoromethyl)pyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 175571168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).