1,1,2-trifluoro-3-methylbut-2-ene

C5H7F3 — CID 135261950

IUPAC1,1,2-trifluoro-3-methylbut-2-ene
SMILESCC(C)=C(F)C(F)F
InChIInChI=1S/C5H7F3/c1-3(2)4(6)5(7)8/h5H,1-2H3
InChIKeyUCKAAIUICBWPED-UHFFFAOYSA-N
MW124.10 g/mol
LogP2.51
Rot. Bonds1

About 1,1,2-trifluoro-3-methylbut-2-ene

1,1,2-trifluoro-3-methylbut-2-ene (PubChem CID 135261950) has the molecular formula C5H7F3 and a molecular weight of 124.10 g/mol. Its IUPAC name is 1,1,2-trifluoro-3-methylbut-2-ene.

Molecular Properties

Compound Name1,1,2-trifluoro-3-methylbut-2-ene
PubChem CID135261950
Molecular FormulaC5H7F3
Molecular Weight124.10 g/mol
Exact Mass124.05
IUPAC Name1,1,2-trifluoro-3-methylbut-2-ene
SMILESCC(C)=C(F)C(F)F
InChIInChI=1S/C5H7F3/c1-3(2)4(6)5(7)8/h5H,1-2H3
InChIKeyUCKAAIUICBWPED-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-3-methylbut-2-ene?
The IUPAC name of 1,1,2-trifluoro-3-methylbut-2-ene (CID 135261950) is 1,1,2-trifluoro-3-methylbut-2-ene.
What is the SMILES notation for 1,1,2-trifluoro-3-methylbut-2-ene?
The canonical SMILES for 1,1,2-trifluoro-3-methylbut-2-ene is CC(C)=C(F)C(F)F.
What is the InChIKey of 1,1,2-trifluoro-3-methylbut-2-ene?
The InChIKey is UCKAAIUICBWPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3/c1-3(2)4(6)5(7)8/h5H,1-2H3.
What are the key properties of 1,1,2-trifluoro-3-methylbut-2-ene?
1,1,2-trifluoro-3-methylbut-2-ene has a molecular weight of 124.10 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-3-methylbut-2-ene is sourced from PubChem (CID 135261950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).