2,2,2-trifluoroethanamine

C2H4F3N — CID 9773

IUPAC2,2,2-trifluoroethanamine
SMILESNCC(F)(F)F
InChIInChI=1S/C2H4F3N/c3-2(4,5)1-6/h1,6H2
InChIKeyKIPSRYDSZQRPEA-UHFFFAOYSA-N
MW99.06 g/mol
LogP0.51
Rot. Bonds

About 2,2,2-trifluoroethanamine

2,2,2-trifluoroethanamine (PubChem CID 9773) has the molecular formula C2H4F3N and a molecular weight of 99.06 g/mol. Its IUPAC name is 2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name2,2,2-trifluoroethanamine
PubChem CID9773
Molecular FormulaC2H4F3N
Molecular Weight99.06 g/mol
Exact Mass99.03
IUPAC Name2,2,2-trifluoroethanamine
SMILESNCC(F)(F)F
InChIInChI=1S/C2H4F3N/c3-2(4,5)1-6/h1,6H2
InChIKeyKIPSRYDSZQRPEA-UHFFFAOYSA-N
XLogP0.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.06
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-Trifluoroethylamine hydrochloride
CID 9772
3,3,3-Trifluoropropylamine
CID 10001
2,2-Difluoroethanamine
CID 136274
2,2,3,3,3-Pentafluoropropylamine
CID 79002
2,2-Difluoroethan-1-amine hydrochloride
CID 18352163
3,3,3-Trifluoropropylamine hydrochloride
CID 25210505
2,2,2-Trifluoroethylazanium;chloride
CID 10931477
2,2,3,3-Tetrafluoropropan-1-amine hydrochloride
CID 21298755
2,2,3,3,3-Pentafluoropropylamine hydrochloride
CID 25210507
2,2,2-Trifluoroethylazanium
CID 7058078
2,3,3,3-Tetrafluoropropan-1-amine
CID 23423629
Tetrafluoroethylamine
CID 84731060

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethanamine?
The IUPAC name of 2,2,2-trifluoroethanamine (CID 9773) is 2,2,2-trifluoroethanamine.
What is the SMILES notation for 2,2,2-trifluoroethanamine?
The canonical SMILES for 2,2,2-trifluoroethanamine is NCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethanamine?
The InChIKey is KIPSRYDSZQRPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F3N/c3-2(4,5)1-6/h1,6H2.
What are the key properties of 2,2,2-trifluoroethanamine?
2,2,2-trifluoroethanamine has a molecular weight of 99.06 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethanamine is sourced from PubChem (CID 9773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).