N-ethyl-1,1,1-trifluorohexan-2-amine

C8H16F3N — CID 66206786

IUPACN-ethyl-1,1,1-trifluorohexan-2-amine
SMILESCCCCC(NCC)C(F)(F)F
InChIInChI=1S/C8H16F3N/c1-3-5-6-7(12-4-2)8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyIXZNTUDUVLKZAI-UHFFFAOYSA-N
MW183.22 g/mol
LogP2.72
Rot. Bonds5

About N-ethyl-1,1,1-trifluorohexan-2-amine

N-ethyl-1,1,1-trifluorohexan-2-amine (PubChem CID 66206786) has the molecular formula C8H16F3N and a molecular weight of 183.22 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluorohexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluorohexan-2-amine
PubChem CID66206786
Molecular FormulaC8H16F3N
Molecular Weight183.22 g/mol
Exact Mass183.12
IUPAC NameN-ethyl-1,1,1-trifluorohexan-2-amine
SMILESCCCCC(NCC)C(F)(F)F
InChIInChI=1S/C8H16F3N/c1-3-5-6-7(12-4-2)8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyIXZNTUDUVLKZAI-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-1,1,1-trifluorohexan-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 N-ethyl-1,1,1-trifluorohexan-2-amine?
The IUPAC name of N-ethyl-1,1,1-trifluorohexan-2-amine (CID 66206786) is N-ethyl-1,1,1-trifluorohexan-2-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluorohexan-2-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluorohexan-2-amine is CCCCC(NCC)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluorohexan-2-amine?
The InChIKey is IXZNTUDUVLKZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N/c1-3-5-6-7(12-4-2)8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of N-ethyl-1,1,1-trifluorohexan-2-amine?
N-ethyl-1,1,1-trifluorohexan-2-amine has a molecular weight of 183.22 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluorohexan-2-amine is sourced from PubChem (CID 66206786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).