(2S)-2-amino-1,1-bis(4-fluorophenyl)propane-1,3-diol

C15H15F2NO2 — CID 71661659

IUPAC(2S)-2-amino-1,1-bis(4-fluorophenyl)propane-1,3-diol
SMILESN[C@@H](CO)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H15F2NO2/c16-12-5-1-10(2-6-12)15(20,14(18)9-19)11-3-7-13(17)8-4-11/h1-8,14,19-20H,9,18H2/t14-/m0/s1
InChIKeyMMYXDUQKSQTAKB-AWEZNQCLSA-N
MW279.29 g/mol
LogP1.52
Rot. Bonds4

About (2S)-2-amino-1,1-bis(4-fluorophenyl)propane-1,3-diol

(2S)-2-amino-1,1-bis(4-fluorophenyl)propane-1,3-diol (PubChem CID 71661659) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2S)-2-amino-1,1-bis(4-fluorophenyl)propane-1,3-diol.

Molecular Properties

Compound Name(2S)-2-amino-1,1-bis(4-fluorophenyl)propane-1,3-diol
PubChem CID71661659
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(2S)-2-amino-1,1-bis(4-fluorophenyl)propane-1,3-diol
SMILESN[C@@H](CO)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H15F2NO2/c16-12-5-1-10(2-6-12)15(20,14(18)9-19)11-3-7-13(17)8-4-11/h1-8,14,19-20H,9,18H2/t14-/m0/s1
InChIKeyMMYXDUQKSQTAKB-AWEZNQCLSA-N
XLogP1.52
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-1,1-bis(4-fluorophenyl)propane-1,3-diol 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

1,1-bis(4-fluorophenyl)propane-1,2-diol
CID 117062920
2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
(2R)-2-amino-2-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 130618697
2-(4-fluorophenyl)propan-2-ol
CID 637733
(1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol
CID 139051380
[(2S)-1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] propanoate
CID 155110586
(2R)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
CID 22084869
(2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
CID 101072833
1-cyclopropyl-3-(4-fluorophenyl)-3-methylbutan-2-amine
CID 64904886
2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid
CID 70123452
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
(2R)-1,2-bis(4-fluorophenyl)-2,3-dihydroxypropan-1-one
CID 125483296

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1,1-bis(4-fluorophenyl)propane-1,3-diol?
The IUPAC name of (2S)-2-amino-1,1-bis(4-fluorophenyl)propane-1,3-diol (CID 71661659) is (2S)-2-amino-1,1-bis(4-fluorophenyl)propane-1,3-diol.
What is the SMILES notation for (2S)-2-amino-1,1-bis(4-fluorophenyl)propane-1,3-diol?
The canonical SMILES for (2S)-2-amino-1,1-bis(4-fluorophenyl)propane-1,3-diol is N[C@@H](CO)C(O)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-amino-1,1-bis(4-fluorophenyl)propane-1,3-diol?
The InChIKey is MMYXDUQKSQTAKB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15F2NO2/c16-12-5-1-10(2-6-12)15(20,14(18)9-19)11-3-7-13(17)8-4-11/h1-8,14,19-20H,9,18H2/t14-/m0/s1.
What are the key properties of (2S)-2-amino-1,1-bis(4-fluorophenyl)propane-1,3-diol?
(2S)-2-amino-1,1-bis(4-fluorophenyl)propane-1,3-diol has a molecular weight of 279.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1,1-bis(4-fluorophenyl)propane-1,3-diol is sourced from PubChem (CID 71661659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).