(3R)-3-amino-2,2-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-ol

C11H14F3NO — CID 131473038

IUPAC(3R)-3-amino-2,2-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-ol
SMILESCC(C)(CO)[C@@H](N)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H14F3NO/c1-11(2,5-16)10(15)6-3-4-7(12)9(14)8(6)13/h3-4,10,16H,5,15H2,1-2H3/t10-/m0/s1
InChIKeyWTEHBHZAXFHSEL-JTQLQIEISA-N
MW233.23 g/mol
LogP2.12
Rot. Bonds3

About (3R)-3-amino-2,2-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-ol

(3R)-3-amino-2,2-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-ol (PubChem CID 131473038) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is (3R)-3-amino-2,2-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-2,2-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-ol
PubChem CID131473038
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name(3R)-3-amino-2,2-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-ol
SMILESCC(C)(CO)[C@@H](N)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H14F3NO/c1-11(2,5-16)10(15)6-3-4-7(12)9(14)8(6)13/h3-4,10,16H,5,15H2,1-2H3/t10-/m0/s1
InChIKeyWTEHBHZAXFHSEL-JTQLQIEISA-N
XLogP2.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (3R)-3-amino-2,2-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-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

2-amino-6-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol
CID 171254060
2-amino-6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol;hydrochloride
CID 171257404
(3R)-3-amino-3-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247074
(3S)-3-amino-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171239204
(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethanamine
CID 66511402
(3S)-3-amino-3-(2-fluoro-5-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171242892
6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-bromo-2-fluorophenol;hydrochloride
CID 171256275
(3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171246300
(3S)-3-amino-3-[2-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171242854
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-fluorophenol;hydrochloride
CID 171245849
(3S)-3-amino-3-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171241172
(3R)-3-amino-3-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247890

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-2,2-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-ol (CID 131473038) is (3R)-3-amino-2,2-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-2,2-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-2,2-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-ol is CC(C)(CO)[C@@H](N)c1ccc(F)c(F)c1F.
What is the InChIKey of (3R)-3-amino-2,2-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-ol?
The InChIKey is WTEHBHZAXFHSEL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14F3NO/c1-11(2,5-16)10(15)6-3-4-7(12)9(14)8(6)13/h3-4,10,16H,5,15H2,1-2H3/t10-/m0/s1.
What are the key properties of (3R)-3-amino-2,2-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-ol?
(3R)-3-amino-2,2-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-ol has a molecular weight of 233.23 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-ol is sourced from PubChem (CID 131473038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).