3,4,4-trifluorobut-2-en-1-amine

C4H6F3N — CID 57321209

IUPAC3,4,4-trifluorobut-2-en-1-amine
SMILESNCC=C(F)C(F)F
InChIInChI=1S/C4H6F3N/c5-3(1-2-8)4(6)7/h1,4H,2,8H2
InChIKeyYKJJINPBBMCDTL-UHFFFAOYSA-N
MW125.09 g/mol
LogP1.06
Rot. Bonds2

About 3,4,4-trifluorobut-2-en-1-amine

3,4,4-trifluorobut-2-en-1-amine (PubChem CID 57321209) has the molecular formula C4H6F3N and a molecular weight of 125.09 g/mol. Its IUPAC name is 3,4,4-trifluorobut-2-en-1-amine.

Molecular Properties

Compound Name3,4,4-trifluorobut-2-en-1-amine
PubChem CID57321209
Molecular FormulaC4H6F3N
Molecular Weight125.09 g/mol
Exact Mass125.05
IUPAC Name3,4,4-trifluorobut-2-en-1-amine
SMILESNCC=C(F)C(F)F
InChIInChI=1S/C4H6F3N/c5-3(1-2-8)4(6)7/h1,4H,2,8H2
InChIKeyYKJJINPBBMCDTL-UHFFFAOYSA-N
XLogP1.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.09
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,4-trifluorobut-2-en-1-amine?
The IUPAC name of 3,4,4-trifluorobut-2-en-1-amine (CID 57321209) is 3,4,4-trifluorobut-2-en-1-amine.
What is the SMILES notation for 3,4,4-trifluorobut-2-en-1-amine?
The canonical SMILES for 3,4,4-trifluorobut-2-en-1-amine is NCC=C(F)C(F)F.
What is the InChIKey of 3,4,4-trifluorobut-2-en-1-amine?
The InChIKey is YKJJINPBBMCDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3N/c5-3(1-2-8)4(6)7/h1,4H,2,8H2.
What are the key properties of 3,4,4-trifluorobut-2-en-1-amine?
3,4,4-trifluorobut-2-en-1-amine has a molecular weight of 125.09 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trifluorobut-2-en-1-amine is sourced from PubChem (CID 57321209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).