1,1,1-trifluoro-3-phenylpropan-2-amine

C9H10F3N — CID 3820972

IUPAC1,1,1-trifluoro-3-phenylpropan-2-amine
SMILESNC(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H10F3N/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h1-5,8H,6,13H2
InChIKeyISYDGOJLGJTVQL-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.12
Rot. Bonds2

About 1,1,1-trifluoro-3-phenylpropan-2-amine

1,1,1-trifluoro-3-phenylpropan-2-amine (PubChem CID 3820972) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-phenylpropan-2-amine
PubChem CID3820972
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name1,1,1-trifluoro-3-phenylpropan-2-amine
SMILESNC(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H10F3N/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h1-5,8H,6,13H2
InChIKeyISYDGOJLGJTVQL-UHFFFAOYSA-N
XLogP2.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,1-trifluoro-3-phenylpropan-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 1,1,1-trifluoro-3-phenylpropan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3-phenylpropan-2-amine (CID 3820972) is 1,1,1-trifluoro-3-phenylpropan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-phenylpropan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3-phenylpropan-2-amine is NC(Cc1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-phenylpropan-2-amine?
The InChIKey is ISYDGOJLGJTVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h1-5,8H,6,13H2.
What are the key properties of 1,1,1-trifluoro-3-phenylpropan-2-amine?
1,1,1-trifluoro-3-phenylpropan-2-amine has a molecular weight of 189.18 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-phenylpropan-2-amine is sourced from PubChem (CID 3820972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).