(2R)-4,4-difluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylic acid

C7H11F2NO3 — CID 118295004

IUPAC(2R)-4,4-difluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylic acid
SMILESCC(O)[C@H]1CC(F)(F)CN1C(=O)O
InChIInChI=1S/C7H11F2NO3/c1-4(11)5-2-7(8,9)3-10(5)6(12)13/h4-5,11H,2-3H2,1H3,(H,12,13)/t4?,5-/m1/s1
InChIKeyQQMSZRANLWHUDL-BRJRFNKRSA-N
MW195.16 g/mol
LogP0.75
Rot. Bonds1

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

(2R)-4,4-difluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylic acid (PubChem CID 118295004) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is (2R)-4,4-difluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-4,4-difluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylic acid
PubChem CID118295004
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name(2R)-4,4-difluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylic acid
SMILESCC(O)[C@H]1CC(F)(F)CN1C(=O)O
InChIInChI=1S/C7H11F2NO3/c1-4(11)5-2-7(8,9)3-10(5)6(12)13/h4-5,11H,2-3H2,1H3,(H,12,13)/t4?,5-/m1/s1
InChIKeyQQMSZRANLWHUDL-BRJRFNKRSA-N
XLogP0.75
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-4,4-difluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylic acid with MolForge

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Related Compounds

Tert-butyl 4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 22001352
Tert-butyl 3,3-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 10705015
tert-Butyl (2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 20648576
Methyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 14044109
tert-butyl (2S)-2-[(1R)-2,2,3,3,4,4,5,5,5-nonafluoro-1-hydroxypentyl]pyrrolidine-1-carboxylate
CID 24905735
(S)-2,2,2-Trifluoro-1-(2-(hydroxymethyl)pyrrolidin-1-yl)ethanone
CID 18660144
2,2,2-Trifluoro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethan-1-one
CID 21964114
(S)-tert-butyl 2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 57728196
2,2,2-trifluoro-1-[(2R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 59089286
2,2,2-trifluoro-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 59097604
(2S,4R)-1-tert-butyl-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-ium-1-carboxylate
CID 67123416
(2S,4S)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylic acid
CID 67212846

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-difluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-4,4-difluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylic acid (CID 118295004) is (2R)-4,4-difluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-4,4-difluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-4,4-difluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylic acid is CC(O)[C@H]1CC(F)(F)CN1C(=O)O.
What is the InChIKey of (2R)-4,4-difluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is QQMSZRANLWHUDL-BRJRFNKRSA-N. The full InChI is InChI=1S/C7H11F2NO3/c1-4(11)5-2-7(8,9)3-10(5)6(12)13/h4-5,11H,2-3H2,1H3,(H,12,13)/t4?,5-/m1/s1.
What are the key properties of (2R)-4,4-difluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylic acid?
(2R)-4,4-difluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 195.16 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-difluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 118295004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).