(2R,3R)-2-(difluoroamino)-2-fluoro-3-hydroxybutanoic acid

C4H6F3NO3 — CID 87508782

IUPAC(2R,3R)-2-(difluoroamino)-2-fluoro-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@@](F)(C(=O)O)N(F)F
InChIInChI=1S/C4H6F3NO3/c1-2(9)4(5,3(10)11)8(6)7/h2,9H,1H3,(H,10,11)/t2-,4+/m1/s1
InChIKeyDQLCMHMRSKSMBT-FONMRSAGSA-N
MW173.09 g/mol
LogP0.19
Rot. Bonds3

About (2R,3R)-2-(difluoroamino)-2-fluoro-3-hydroxybutanoic acid

(2R,3R)-2-(difluoroamino)-2-fluoro-3-hydroxybutanoic acid (PubChem CID 87508782) has the molecular formula C4H6F3NO3 and a molecular weight of 173.09 g/mol. Its IUPAC name is (2R,3R)-2-(difluoroamino)-2-fluoro-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-(difluoroamino)-2-fluoro-3-hydroxybutanoic acid
PubChem CID87508782
Molecular FormulaC4H6F3NO3
Molecular Weight173.09 g/mol
Exact Mass173.03
IUPAC Name(2R,3R)-2-(difluoroamino)-2-fluoro-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@@](F)(C(=O)O)N(F)F
InChIInChI=1S/C4H6F3NO3/c1-2(9)4(5,3(10)11)8(6)7/h2,9H,1H3,(H,10,11)/t2-,4+/m1/s1
InChIKeyDQLCMHMRSKSMBT-FONMRSAGSA-N
XLogP0.19
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.09
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze (2R,3R)-2-(difluoroamino)-2-fluoro-3-hydroxybutanoic acid 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

2-(difluoroamino)-2-fluoro-3-methylpentanoic acid
CID 87110660
2,2-difluoro-3-hydroxy-4-methylpentanoic acid
CID 62398254
azane;2-hydroxypropane-1,1,1-tricarboxylic acid;iron
CID 174337721
ethane-1,1-diol;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate
CID 173053065
azane;1,1,1-trifluoropropan-2-ol
CID 172812336
CID 22140680
CID 22140680
2,2-difluoro-3-hydroxybutanoate
CID 140854807
3,3-difluoro-4-methyl-2-oxopentanoic acid
CID 10261433
methane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one
CID 157447507
N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride
CID 159443818
2,2-difluoro-2-(3-methylbutan-2-ylsulfonyl)acetic acid
CID 107746610
2,2,2-trifluoroacetic acid;3,3,3-trifluoro-2-hydroxy-N,N-dimethylpropanamide
CID 175815324

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(difluoroamino)-2-fluoro-3-hydroxybutanoic acid?
The IUPAC name of (2R,3R)-2-(difluoroamino)-2-fluoro-3-hydroxybutanoic acid (CID 87508782) is (2R,3R)-2-(difluoroamino)-2-fluoro-3-hydroxybutanoic acid.
What is the SMILES notation for (2R,3R)-2-(difluoroamino)-2-fluoro-3-hydroxybutanoic acid?
The canonical SMILES for (2R,3R)-2-(difluoroamino)-2-fluoro-3-hydroxybutanoic acid is C[C@@H](O)[C@@](F)(C(=O)O)N(F)F.
What is the InChIKey of (2R,3R)-2-(difluoroamino)-2-fluoro-3-hydroxybutanoic acid?
The InChIKey is DQLCMHMRSKSMBT-FONMRSAGSA-N. The full InChI is InChI=1S/C4H6F3NO3/c1-2(9)4(5,3(10)11)8(6)7/h2,9H,1H3,(H,10,11)/t2-,4+/m1/s1.
What are the key properties of (2R,3R)-2-(difluoroamino)-2-fluoro-3-hydroxybutanoic acid?
(2R,3R)-2-(difluoroamino)-2-fluoro-3-hydroxybutanoic acid has a molecular weight of 173.09 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(difluoroamino)-2-fluoro-3-hydroxybutanoic acid is sourced from PubChem (CID 87508782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).