1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol

C13H19F2NO2 — CID 18985341

IUPAC1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol
SMILESOC(CF)CN(Cc1ccccc1)CC(O)CF
InChIInChI=1S/C13H19F2NO2/c14-6-12(17)9-16(10-13(18)7-15)8-11-4-2-1-3-5-11/h1-5,12-13,17-18H,6-10H2
InChIKeyPVVDOYLUYGAARG-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.15
Rot. Bonds8

About 1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol

1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol (PubChem CID 18985341) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol
PubChem CID18985341
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol
SMILESOC(CF)CN(Cc1ccccc1)CC(O)CF
InChIInChI=1S/C13H19F2NO2/c14-6-12(17)9-16(10-13(18)7-15)8-11-4-2-1-3-5-11/h1-5,12-13,17-18H,6-10H2
InChIKeyPVVDOYLUYGAARG-UHFFFAOYSA-N
XLogP1.15
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-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

Related Compounds

(2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol
CID 111970128
1-[3-aminopropyl(benzyl)amino]butan-2-ol
CID 107367330
1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol
CID 13219301
3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 3825046
(2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol
CID 1488046
1-[benzyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713638
4-[benzyl(ethyl)amino]butane-1,3-diol
CID 142177129
1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802
1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol
CID 112818476
4-amino-1-[4-[(4-amino-2-hydroxybutyl)-benzylamino]butyl-benzylamino]butan-2-ol
CID 85268457
3-[[benzyl(2-hydroxybutyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768278
1-[benzyl(1H-indol-3-ylmethyl)amino]butan-2-ol
CID 71677029

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol?
The IUPAC name of 1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol (CID 18985341) is 1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol.
What is the SMILES notation for 1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol?
The canonical SMILES for 1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol is OC(CF)CN(Cc1ccccc1)CC(O)CF.
What is the InChIKey of 1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol?
The InChIKey is PVVDOYLUYGAARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c14-6-12(17)9-16(10-13(18)7-15)8-11-4-2-1-3-5-11/h1-5,12-13,17-18H,6-10H2.
What are the key properties of 1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol?
1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol has a molecular weight of 259.30 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol is sourced from PubChem (CID 18985341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).