(2S,3R,4R)-4-amino-1,1-difluoro-4-(2-fluorophenyl)-3-methoxypentan-2-ol

C12H16F3NO2 — CID 90147182

IUPAC(2S,3R,4R)-4-amino-1,1-difluoro-4-(2-fluorophenyl)-3-methoxypentan-2-ol
SMILESCO[C@@H]([C@H](O)C(F)F)[C@](C)(N)c1ccccc1F
InChIInChI=1S/C12H16F3NO2/c1-12(16,7-5-3-4-6-8(7)13)10(18-2)9(17)11(14)15/h3-6,9-11,17H,16H2,1-2H3/t9-,10-,12+/m0/s1
InChIKeyGFNVQKFGNDQOFG-JBLDHEPKSA-N
MW263.26 g/mol
LogP1.64
Rot. Bonds5

About (2S,3R,4R)-4-amino-1,1-difluoro-4-(2-fluorophenyl)-3-methoxypentan-2-ol

(2S,3R,4R)-4-amino-1,1-difluoro-4-(2-fluorophenyl)-3-methoxypentan-2-ol (PubChem CID 90147182) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is (2S,3R,4R)-4-amino-1,1-difluoro-4-(2-fluorophenyl)-3-methoxypentan-2-ol.

Molecular Properties

Compound Name(2S,3R,4R)-4-amino-1,1-difluoro-4-(2-fluorophenyl)-3-methoxypentan-2-ol
PubChem CID90147182
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name(2S,3R,4R)-4-amino-1,1-difluoro-4-(2-fluorophenyl)-3-methoxypentan-2-ol
SMILESCO[C@@H]([C@H](O)C(F)F)[C@](C)(N)c1ccccc1F
InChIInChI=1S/C12H16F3NO2/c1-12(16,7-5-3-4-6-8(7)13)10(18-2)9(17)11(14)15/h3-6,9-11,17H,16H2,1-2H3/t9-,10-,12+/m0/s1
InChIKeyGFNVQKFGNDQOFG-JBLDHEPKSA-N
XLogP1.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3R,4R)-4-amino-1,1-difluoro-4-(2-fluorophenyl)-3-methoxypentan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-4-amino-1,1-difluoro-4-(2-fluorophenyl)-3-methoxypentan-2-ol?
The IUPAC name of (2S,3R,4R)-4-amino-1,1-difluoro-4-(2-fluorophenyl)-3-methoxypentan-2-ol (CID 90147182) is (2S,3R,4R)-4-amino-1,1-difluoro-4-(2-fluorophenyl)-3-methoxypentan-2-ol.
What is the SMILES notation for (2S,3R,4R)-4-amino-1,1-difluoro-4-(2-fluorophenyl)-3-methoxypentan-2-ol?
The canonical SMILES for (2S,3R,4R)-4-amino-1,1-difluoro-4-(2-fluorophenyl)-3-methoxypentan-2-ol is CO[C@@H]([C@H](O)C(F)F)[C@](C)(N)c1ccccc1F.
What is the InChIKey of (2S,3R,4R)-4-amino-1,1-difluoro-4-(2-fluorophenyl)-3-methoxypentan-2-ol?
The InChIKey is GFNVQKFGNDQOFG-JBLDHEPKSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-12(16,7-5-3-4-6-8(7)13)10(18-2)9(17)11(14)15/h3-6,9-11,17H,16H2,1-2H3/t9-,10-,12+/m0/s1.
What are the key properties of (2S,3R,4R)-4-amino-1,1-difluoro-4-(2-fluorophenyl)-3-methoxypentan-2-ol?
(2S,3R,4R)-4-amino-1,1-difluoro-4-(2-fluorophenyl)-3-methoxypentan-2-ol has a molecular weight of 263.26 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-4-amino-1,1-difluoro-4-(2-fluorophenyl)-3-methoxypentan-2-ol is sourced from PubChem (CID 90147182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).