2,3,3-trifluoroprop-2-en-1-amine

C3H4F3N — CID 14103793

IUPAC2,3,3-trifluoroprop-2-en-1-amine
SMILESNCC(F)=C(F)F
InChIInChI=1S/C3H4F3N/c4-2(1-7)3(5)6/h1,7H2
InChIKeyCHVKLKUPEXDEJH-UHFFFAOYSA-N
MW111.07 g/mol
LogP1.02
Rot. Bonds1

About 2,3,3-trifluoroprop-2-en-1-amine

2,3,3-trifluoroprop-2-en-1-amine (PubChem CID 14103793) has the molecular formula C3H4F3N and a molecular weight of 111.07 g/mol. Its IUPAC name is 2,3,3-trifluoroprop-2-en-1-amine.

Molecular Properties

Compound Name2,3,3-trifluoroprop-2-en-1-amine
PubChem CID14103793
Molecular FormulaC3H4F3N
Molecular Weight111.07 g/mol
Exact Mass111.03
IUPAC Name2,3,3-trifluoroprop-2-en-1-amine
SMILESNCC(F)=C(F)F
InChIInChI=1S/C3H4F3N/c4-2(1-7)3(5)6/h1,7H2
InChIKeyCHVKLKUPEXDEJH-UHFFFAOYSA-N
XLogP1.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.07
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoroprop-2-en-1-amine?
The IUPAC name of 2,3,3-trifluoroprop-2-en-1-amine (CID 14103793) is 2,3,3-trifluoroprop-2-en-1-amine.
What is the SMILES notation for 2,3,3-trifluoroprop-2-en-1-amine?
The canonical SMILES for 2,3,3-trifluoroprop-2-en-1-amine is NCC(F)=C(F)F.
What is the InChIKey of 2,3,3-trifluoroprop-2-en-1-amine?
The InChIKey is CHVKLKUPEXDEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3N/c4-2(1-7)3(5)6/h1,7H2.
What are the key properties of 2,3,3-trifluoroprop-2-en-1-amine?
2,3,3-trifluoroprop-2-en-1-amine has a molecular weight of 111.07 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoroprop-2-en-1-amine is sourced from PubChem (CID 14103793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).