4,4,4-trifluoro-2-(trifluoromethyl)butan-1-amine

C5H7F6N — CID 82534528

IUPAC4,4,4-trifluoro-2-(trifluoromethyl)butan-1-amine
SMILESNCC(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H7F6N/c6-4(7,8)1-3(2-12)5(9,10)11/h3H,1-2,12H2
InChIKeyOGUVWFLUJQHUPB-UHFFFAOYSA-N
MW195.11 g/mol
LogP2.08
Rot. Bonds2

About 4,4,4-trifluoro-2-(trifluoromethyl)butan-1-amine

4,4,4-trifluoro-2-(trifluoromethyl)butan-1-amine (PubChem CID 82534528) has the molecular formula C5H7F6N and a molecular weight of 195.11 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-(trifluoromethyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-2-(trifluoromethyl)butan-1-amine
PubChem CID82534528
Molecular FormulaC5H7F6N
Molecular Weight195.11 g/mol
Exact Mass195.05
IUPAC Name4,4,4-trifluoro-2-(trifluoromethyl)butan-1-amine
SMILESNCC(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H7F6N/c6-4(7,8)1-3(2-12)5(9,10)11/h3H,1-2,12H2
InChIKeyOGUVWFLUJQHUPB-UHFFFAOYSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.11
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4,4-trifluoro-2-(trifluoromethyl)butan-1-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

3,3,4,4,4-Pentafluorobutan-1-amine
CID 15754740
4,4,4-Trifluoro-2-methylbutan-1-amine hydrochloride
CID 21841122
4,4,4-Trifluoro-3-(trifluoromethyl)butan-1-amine hydrochloride
CID 53407813
(2R)-4,4,4-trifluoro-2-methylbutan-1-amine
CID 10290842
4,4,4-Trifluoro-3-methylbutan-1-amine
CID 10464414
4,4,4-Trifluoro-2-methylbutan-1-amine
CID 10197739
4,4,4-Trifluoro-3-methylbutan-1-amine hydrochloride
CID 134163276
4,4-Difluoro-3-methylbutan-1-amine hydrochloride
CID 138991513
(2S)-4,4,4-trifluoro-2-methylbutan-1-amine
CID 10011989
4,4,4-Trifluoro-3-trifluoromethyl-butylamine
CID 10104109
2-(Aminomethyl)-1,1,1-trifluorobutane
CID 10351789
(R)-2-methyl-4,4,4-trifluorobutylamine hydrochloride
CID 12004108

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-(trifluoromethyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-2-(trifluoromethyl)butan-1-amine (CID 82534528) is 4,4,4-trifluoro-2-(trifluoromethyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-2-(trifluoromethyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-2-(trifluoromethyl)butan-1-amine is NCC(CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2-(trifluoromethyl)butan-1-amine?
The InChIKey is OGUVWFLUJQHUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F6N/c6-4(7,8)1-3(2-12)5(9,10)11/h3H,1-2,12H2.
What are the key properties of 4,4,4-trifluoro-2-(trifluoromethyl)butan-1-amine?
4,4,4-trifluoro-2-(trifluoromethyl)butan-1-amine has a molecular weight of 195.11 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-(trifluoromethyl)butan-1-amine is sourced from PubChem (CID 82534528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).