(2R,3S,4S,5S)-2-(1,1-difluoro-2-hydroxyethyl)-4-fluoro-5-(hydroxymethyl)pyrrolidin-3-ol

C7H12F3NO3 — CID 56654087

IUPAC(2R,3S,4S,5S)-2-(1,1-difluoro-2-hydroxyethyl)-4-fluoro-5-(hydroxymethyl)pyrrolidin-3-ol
SMILESOC[C@@H]1N[C@@H](C(F)(F)CO)[C@H](O)[C@H]1F
InChIInChI=1S/C7H12F3NO3/c8-4-3(1-12)11-6(5(4)14)7(9,10)2-13/h3-6,11-14H,1-2H2/t3-,4-,5+,6+/m0/s1
InChIKeyFJWWVQXDAUJBLC-UNTFVMJOSA-N
MW215.17 g/mol
LogP-1.35
Rot. Bonds3

About (2R,3S,4S,5S)-2-(1,1-difluoro-2-hydroxyethyl)-4-fluoro-5-(hydroxymethyl)pyrrolidin-3-ol

(2R,3S,4S,5S)-2-(1,1-difluoro-2-hydroxyethyl)-4-fluoro-5-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 56654087) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is (2R,3S,4S,5S)-2-(1,1-difluoro-2-hydroxyethyl)-4-fluoro-5-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-2-(1,1-difluoro-2-hydroxyethyl)-4-fluoro-5-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID56654087
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name(2R,3S,4S,5S)-2-(1,1-difluoro-2-hydroxyethyl)-4-fluoro-5-(hydroxymethyl)pyrrolidin-3-ol
SMILESOC[C@@H]1N[C@@H](C(F)(F)CO)[C@H](O)[C@H]1F
InChIInChI=1S/C7H12F3NO3/c8-4-3(1-12)11-6(5(4)14)7(9,10)2-13/h3-6,11-14H,1-2H2/t3-,4-,5+,6+/m0/s1
InChIKeyFJWWVQXDAUJBLC-UNTFVMJOSA-N
XLogP-1.35
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R,3S,4S,5S)-2-(1,1-difluoro-2-hydroxyethyl)-4-fluoro-5-(hydroxymethyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S,4S,5S)-4-fluoro-2-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)pyrrolidin-3-ol
CID 56653751
(2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 59918213
2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride
CID 73001219
[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-difluoromethyl]-ethoxyphosphinic acid
CID 11630689
[(2R,3S)-3-(hydroxymethyl)aziridin-2-yl]methanol
CID 139760499
2,2-difluoro-2-piperidin-4-ylethanol
CID 105432620
(2S,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol
CID 66649258
2,2-difluoro-2-(thietan-3-yl)ethanol
CID 105430067
(2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 89290989
(4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 59973652
(2R,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 59658610
(2S,3R,4S,5S)-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 130818537

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-2-(1,1-difluoro-2-hydroxyethyl)-4-fluoro-5-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of (2R,3S,4S,5S)-2-(1,1-difluoro-2-hydroxyethyl)-4-fluoro-5-(hydroxymethyl)pyrrolidin-3-ol (CID 56654087) is (2R,3S,4S,5S)-2-(1,1-difluoro-2-hydroxyethyl)-4-fluoro-5-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for (2R,3S,4S,5S)-2-(1,1-difluoro-2-hydroxyethyl)-4-fluoro-5-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for (2R,3S,4S,5S)-2-(1,1-difluoro-2-hydroxyethyl)-4-fluoro-5-(hydroxymethyl)pyrrolidin-3-ol is OC[C@@H]1N[C@@H](C(F)(F)CO)[C@H](O)[C@H]1F.
What is the InChIKey of (2R,3S,4S,5S)-2-(1,1-difluoro-2-hydroxyethyl)-4-fluoro-5-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is FJWWVQXDAUJBLC-UNTFVMJOSA-N. The full InChI is InChI=1S/C7H12F3NO3/c8-4-3(1-12)11-6(5(4)14)7(9,10)2-13/h3-6,11-14H,1-2H2/t3-,4-,5+,6+/m0/s1.
What are the key properties of (2R,3S,4S,5S)-2-(1,1-difluoro-2-hydroxyethyl)-4-fluoro-5-(hydroxymethyl)pyrrolidin-3-ol?
(2R,3S,4S,5S)-2-(1,1-difluoro-2-hydroxyethyl)-4-fluoro-5-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 215.17 g/mol, XLogP of -1.35, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-2-(1,1-difluoro-2-hydroxyethyl)-4-fluoro-5-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 56654087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).