(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine

C10H12F3N — CID 12895728

IUPAC(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESC[C@@H](N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/m1/s1
InChIKeyMLBHFBKZUPLWBD-SSDOTTSWSA-N
MW203.21 g/mol
LogP2.60
Rot. Bonds2

About (2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine

(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 12895728) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is (2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID12895728
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESC[C@@H](N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/m1/s1
InChIKeyMLBHFBKZUPLWBD-SSDOTTSWSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine 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 (2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of (2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 12895728) is (2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for (2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for (2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine is C[C@@H](N)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is MLBHFBKZUPLWBD-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 203.21 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 12895728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).