(2S)-1,1,1-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine

C8H14F3N — CID 155384151

IUPAC(2S)-1,1,1-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine
SMILESC=C(C)CN[C@@H](CC)C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-4-7(8(9,10)11)12-5-6(2)3/h7,12H,2,4-5H2,1,3H3/t7-/m0/s1
InChIKeyVOQDIXMWFOMUIR-ZETCQYMHSA-N
MW181.20 g/mol
LogP2.49
Rot. Bonds4

About (2S)-1,1,1-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine

(2S)-1,1,1-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine (PubChem CID 155384151) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine
PubChem CID155384151
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name(2S)-1,1,1-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine
SMILESC=C(C)CN[C@@H](CC)C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-4-7(8(9,10)11)12-5-6(2)3/h7,12H,2,4-5H2,1,3H3/t7-/m0/s1
InChIKeyVOQDIXMWFOMUIR-ZETCQYMHSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-1,1,1-trifluoro-N-(2-methylprop-2-enyl)butan-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 (2S)-1,1,1-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine?
The IUPAC name of (2S)-1,1,1-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine (CID 155384151) is (2S)-1,1,1-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine.
What is the SMILES notation for (2S)-1,1,1-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine?
The canonical SMILES for (2S)-1,1,1-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine is C=C(C)CN[C@@H](CC)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine?
The InChIKey is VOQDIXMWFOMUIR-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14F3N/c1-4-7(8(9,10)11)12-5-6(2)3/h7,12H,2,4-5H2,1,3H3/t7-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine?
(2S)-1,1,1-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine has a molecular weight of 181.20 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-N-(2-methylprop-2-enyl)butan-2-amine is sourced from PubChem (CID 155384151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).