2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-amine

C4H4F7N — CID 125424351

IUPAC2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-amine
SMILESNCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H4F7N/c5-2(1-12,3(6,7)8)4(9,10)11/h1,12H2
InChIKeyWRAHZJQESWMXQC-UHFFFAOYSA-N
MW199.07 g/mol
LogP1.78
Rot. Bonds1

About 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-amine

2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-amine (PubChem CID 125424351) has the molecular formula C4H4F7N and a molecular weight of 199.07 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-amine
PubChem CID125424351
Molecular FormulaC4H4F7N
Molecular Weight199.07 g/mol
Exact Mass199.02
IUPAC Name2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-amine
SMILESNCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H4F7N/c5-2(1-12,3(6,7)8)4(9,10)11/h1,12H2
InChIKeyWRAHZJQESWMXQC-UHFFFAOYSA-N
XLogP1.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.07
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-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

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-amine (CID 125424351) is 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-amine is NCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-amine?
The InChIKey is WRAHZJQESWMXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F7N/c5-2(1-12,3(6,7)8)4(9,10)11/h1,12H2.
What are the key properties of 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-amine?
2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-amine has a molecular weight of 199.07 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 125424351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).