3-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diol

C10H11ClF3NO2 — CID 170829262

IUPAC3-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diol
SMILESNCC(O)C(O)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C10H11ClF3NO2/c11-8-5(9(17)7(16)4-15)2-1-3-6(8)10(12,13)14/h1-3,7,9,16-17H,4,15H2
InChIKeyGKNVPFRFQFFIJO-UHFFFAOYSA-N
MW269.65 g/mol
LogP1.71
Rot. Bonds3

About 3-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diol

3-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diol (PubChem CID 170829262) has the molecular formula C10H11ClF3NO2 and a molecular weight of 269.65 g/mol. Its IUPAC name is 3-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diol
PubChem CID170829262
Molecular FormulaC10H11ClF3NO2
Molecular Weight269.65 g/mol
Exact Mass269.04
IUPAC Name3-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diol
SMILESNCC(O)C(O)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C10H11ClF3NO2/c11-8-5(9(17)7(16)4-15)2-1-3-6(8)10(12,13)14/h1-3,7,9,16-17H,4,15H2
InChIKeyGKNVPFRFQFFIJO-UHFFFAOYSA-N
XLogP1.71
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,2-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

3-amino-1-(2,3-dichlorophenyl)propane-1,2-diol
CID 170827625
N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170831311
(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 171228970
(2R,3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 171263988
benzyl N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171857175
1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine
CID 78001930
(1S,2R)-1-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171269660
(1R,2S)-1-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171263985
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
3-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 170828543
3-amino-1-[2,5-bis(trifluoromethyl)phenyl]propane-1,2-diol
CID 170829214
ethyl (3R)-3-amino-3-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluoropropanoate
CID 171242809

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diol?
The IUPAC name of 3-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diol (CID 170829262) is 3-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diol.
What is the SMILES notation for 3-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diol?
The canonical SMILES for 3-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diol is NCC(O)C(O)c1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of 3-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diol?
The InChIKey is GKNVPFRFQFFIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO2/c11-8-5(9(17)7(16)4-15)2-1-3-6(8)10(12,13)14/h1-3,7,9,16-17H,4,15H2.
What are the key properties of 3-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diol?
3-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diol has a molecular weight of 269.65 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diol is sourced from PubChem (CID 170829262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).