1,1,1-trifluoro-3,4-dimethylhexan-2-amine

C8H16F3N — CID 163739387

IUPAC1,1,1-trifluoro-3,4-dimethylhexan-2-amine
SMILESCCC(C)C(C)C(N)C(F)(F)F
InChIInChI=1S/C8H16F3N/c1-4-5(2)6(3)7(12)8(9,10)11/h5-7H,4,12H2,1-3H3
InChIKeyLGLFYSRMHZAEFW-UHFFFAOYSA-N
MW183.22 g/mol
LogP2.56
Rot. Bonds3

About 1,1,1-trifluoro-3,4-dimethylhexan-2-amine

1,1,1-trifluoro-3,4-dimethylhexan-2-amine (PubChem CID 163739387) has the molecular formula C8H16F3N and a molecular weight of 183.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3,4-dimethylhexan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3,4-dimethylhexan-2-amine
PubChem CID163739387
Molecular FormulaC8H16F3N
Molecular Weight183.22 g/mol
Exact Mass183.12
IUPAC Name1,1,1-trifluoro-3,4-dimethylhexan-2-amine
SMILESCCC(C)C(C)C(N)C(F)(F)F
InChIInChI=1S/C8H16F3N/c1-4-5(2)6(3)7(12)8(9,10)11/h5-7H,4,12H2,1-3H3
InChIKeyLGLFYSRMHZAEFW-UHFFFAOYSA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,1-trifluoro-3,4-dimethylhexan-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

Related Compounds

(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine
CID 122577413
(3R)-4,5-dimethylheptan-3-amine
CID 163978078
1,1,1-trifluorobutane-2,3-diamine
CID 130988807
1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine
CID 105044294
2,2,3,4,5-pentamethylheptane
CID 53428630
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
(2S,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine
CID 170384161
(1,1,1-trifluoro-3-methylpentan-2-yl)hydrazine
CID 105215778
(4S)-2,3,4-trimethylhexane
CID 58359072
(3R,4R,5R,6S)-3,6-dimethyloctane-4,5-diamine
CID 101057431
ethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate
CID 150708955
2-(3,3-difluorobutan-2-yloxy)-3-methylpentane
CID 175610511

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3,4-dimethylhexan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3,4-dimethylhexan-2-amine (CID 163739387) is 1,1,1-trifluoro-3,4-dimethylhexan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3,4-dimethylhexan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3,4-dimethylhexan-2-amine is CCC(C)C(C)C(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3,4-dimethylhexan-2-amine?
The InChIKey is LGLFYSRMHZAEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N/c1-4-5(2)6(3)7(12)8(9,10)11/h5-7H,4,12H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-3,4-dimethylhexan-2-amine?
1,1,1-trifluoro-3,4-dimethylhexan-2-amine has a molecular weight of 183.22 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3,4-dimethylhexan-2-amine is sourced from PubChem (CID 163739387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).