1,2,4-trifluoro-3-(fluoromethyl)but-2-ene

C5H6F4 — CID 135262054

IUPAC1,2,4-trifluoro-3-(fluoromethyl)but-2-ene
SMILESFCC(F)=C(CF)CF
InChIInChI=1S/C5H6F4/c6-1-4(2-7)5(9)3-8/h1-3H2
InChIKeyBTUOOUWVLHYYOF-UHFFFAOYSA-N
MW142.09 g/mol
LogP2.12
Rot. Bonds3

About 1,2,4-trifluoro-3-(fluoromethyl)but-2-ene

1,2,4-trifluoro-3-(fluoromethyl)but-2-ene (PubChem CID 135262054) has the molecular formula C5H6F4 and a molecular weight of 142.09 g/mol. Its IUPAC name is 1,2,4-trifluoro-3-(fluoromethyl)but-2-ene.

Molecular Properties

Compound Name1,2,4-trifluoro-3-(fluoromethyl)but-2-ene
PubChem CID135262054
Molecular FormulaC5H6F4
Molecular Weight142.09 g/mol
Exact Mass142.04
IUPAC Name1,2,4-trifluoro-3-(fluoromethyl)but-2-ene
SMILESFCC(F)=C(CF)CF
InChIInChI=1S/C5H6F4/c6-1-4(2-7)5(9)3-8/h1-3H2
InChIKeyBTUOOUWVLHYYOF-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.09
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trifluoro-3-(fluoromethyl)but-2-ene?
The IUPAC name of 1,2,4-trifluoro-3-(fluoromethyl)but-2-ene (CID 135262054) is 1,2,4-trifluoro-3-(fluoromethyl)but-2-ene.
What is the SMILES notation for 1,2,4-trifluoro-3-(fluoromethyl)but-2-ene?
The canonical SMILES for 1,2,4-trifluoro-3-(fluoromethyl)but-2-ene is FCC(F)=C(CF)CF.
What is the InChIKey of 1,2,4-trifluoro-3-(fluoromethyl)but-2-ene?
The InChIKey is BTUOOUWVLHYYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4/c6-1-4(2-7)5(9)3-8/h1-3H2.
What are the key properties of 1,2,4-trifluoro-3-(fluoromethyl)but-2-ene?
1,2,4-trifluoro-3-(fluoromethyl)but-2-ene has a molecular weight of 142.09 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trifluoro-3-(fluoromethyl)but-2-ene is sourced from PubChem (CID 135262054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).