1,1,2,3,4,4,4-heptafluoro-3-methylbut-1-ene

C5H3F7 — CID 18629941

IUPAC1,1,2,3,4,4,4-heptafluoro-3-methylbut-1-ene
SMILESCC(F)(C(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C5H3F7/c1-4(9,5(10,11)12)2(6)3(7)8/h1H3
InChIKeyADLOYHSTVBZNLC-UHFFFAOYSA-N
MW196.06 g/mol
LogP3.35
Rot. Bonds1

About 1,1,2,3,4,4,4-heptafluoro-3-methylbut-1-ene

1,1,2,3,4,4,4-heptafluoro-3-methylbut-1-ene (PubChem CID 18629941) has the molecular formula C5H3F7 and a molecular weight of 196.06 g/mol. Its IUPAC name is 1,1,2,3,4,4,4-heptafluoro-3-methylbut-1-ene.

Molecular Properties

Compound Name1,1,2,3,4,4,4-heptafluoro-3-methylbut-1-ene
PubChem CID18629941
Molecular FormulaC5H3F7
Molecular Weight196.06 g/mol
Exact Mass196.01
IUPAC Name1,1,2,3,4,4,4-heptafluoro-3-methylbut-1-ene
SMILESCC(F)(C(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C5H3F7/c1-4(9,5(10,11)12)2(6)3(7)8/h1H3
InChIKeyADLOYHSTVBZNLC-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.06
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,4,4-heptafluoro-3-methylbut-1-ene?
The IUPAC name of 1,1,2,3,4,4,4-heptafluoro-3-methylbut-1-ene (CID 18629941) is 1,1,2,3,4,4,4-heptafluoro-3-methylbut-1-ene.
What is the SMILES notation for 1,1,2,3,4,4,4-heptafluoro-3-methylbut-1-ene?
The canonical SMILES for 1,1,2,3,4,4,4-heptafluoro-3-methylbut-1-ene is CC(F)(C(F)=C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,4,4,4-heptafluoro-3-methylbut-1-ene?
The InChIKey is ADLOYHSTVBZNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7/c1-4(9,5(10,11)12)2(6)3(7)8/h1H3.
What are the key properties of 1,1,2,3,4,4,4-heptafluoro-3-methylbut-1-ene?
1,1,2,3,4,4,4-heptafluoro-3-methylbut-1-ene has a molecular weight of 196.06 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,4,4-heptafluoro-3-methylbut-1-ene is sourced from PubChem (CID 18629941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).