(2S)-1,1,1-trifluoro-N-propan-2-ylhexan-2-amine

C9H18F3N — CID 166781439

IUPAC(2S)-1,1,1-trifluoro-N-propan-2-ylhexan-2-amine
SMILESCCCC[C@H](NC(C)C)C(F)(F)F
InChIInChI=1S/C9H18F3N/c1-4-5-6-8(9(10,11)12)13-7(2)3/h7-8,13H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyLBTXDXKLLNGHKL-QMMMGPOBSA-N
MW197.24 g/mol
LogP3.11
Rot. Bonds5

About (2S)-1,1,1-trifluoro-N-propan-2-ylhexan-2-amine

(2S)-1,1,1-trifluoro-N-propan-2-ylhexan-2-amine (PubChem CID 166781439) has the molecular formula C9H18F3N and a molecular weight of 197.24 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-N-propan-2-ylhexan-2-amine.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-N-propan-2-ylhexan-2-amine
PubChem CID166781439
Molecular FormulaC9H18F3N
Molecular Weight197.24 g/mol
Exact Mass197.14
IUPAC Name(2S)-1,1,1-trifluoro-N-propan-2-ylhexan-2-amine
SMILESCCCC[C@H](NC(C)C)C(F)(F)F
InChIInChI=1S/C9H18F3N/c1-4-5-6-8(9(10,11)12)13-7(2)3/h7-8,13H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyLBTXDXKLLNGHKL-QMMMGPOBSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-1,1,1-trifluoro-N-propan-2-ylhexan-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-propan-2-ylhexan-2-amine?
The IUPAC name of (2S)-1,1,1-trifluoro-N-propan-2-ylhexan-2-amine (CID 166781439) is (2S)-1,1,1-trifluoro-N-propan-2-ylhexan-2-amine.
What is the SMILES notation for (2S)-1,1,1-trifluoro-N-propan-2-ylhexan-2-amine?
The canonical SMILES for (2S)-1,1,1-trifluoro-N-propan-2-ylhexan-2-amine is CCCC[C@H](NC(C)C)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-N-propan-2-ylhexan-2-amine?
The InChIKey is LBTXDXKLLNGHKL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18F3N/c1-4-5-6-8(9(10,11)12)13-7(2)3/h7-8,13H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-N-propan-2-ylhexan-2-amine?
(2S)-1,1,1-trifluoro-N-propan-2-ylhexan-2-amine has a molecular weight of 197.24 g/mol, XLogP of 3.11, 5 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-propan-2-ylhexan-2-amine is sourced from PubChem (CID 166781439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).