1,1,1-trifluoro-4,4-dimethylpentan-2-amine

C7H14F3N — CID 63898477

IUPAC1,1,1-trifluoro-4,4-dimethylpentan-2-amine
SMILESCC(C)(C)CC(N)C(F)(F)F
InChIInChI=1S/C7H14F3N/c1-6(2,3)4-5(11)7(8,9)10/h5H,4,11H2,1-3H3
InChIKeyGBMGSRRYJYOIFW-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.31
Rot. Bonds1

About 1,1,1-trifluoro-4,4-dimethylpentan-2-amine

1,1,1-trifluoro-4,4-dimethylpentan-2-amine (PubChem CID 63898477) has the molecular formula C7H14F3N and a molecular weight of 169.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-4,4-dimethylpentan-2-amine
PubChem CID63898477
Molecular FormulaC7H14F3N
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC Name1,1,1-trifluoro-4,4-dimethylpentan-2-amine
SMILESCC(C)(C)CC(N)C(F)(F)F
InChIInChI=1S/C7H14F3N/c1-6(2,3)4-5(11)7(8,9)10/h5H,4,11H2,1-3H3
InChIKeyGBMGSRRYJYOIFW-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,1-trifluoro-4,4-dimethylpentan-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-4,4-dimethylpentan-2-amine?
The IUPAC name of 1,1,1-trifluoro-4,4-dimethylpentan-2-amine (CID 63898477) is 1,1,1-trifluoro-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-4,4-dimethylpentan-2-amine is CC(C)(C)CC(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4,4-dimethylpentan-2-amine?
The InChIKey is GBMGSRRYJYOIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N/c1-6(2,3)4-5(11)7(8,9)10/h5H,4,11H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-4,4-dimethylpentan-2-amine?
1,1,1-trifluoro-4,4-dimethylpentan-2-amine has a molecular weight of 169.19 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 63898477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).