3-(difluoromethyl)-2,3,4,4,4-pentafluorobut-1-ene

C5H3F7 — CID 118145936

IUPAC3-(difluoromethyl)-2,3,4,4,4-pentafluorobut-1-ene
SMILESC=C(F)C(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C5H3F7/c1-2(6)4(9,3(7)8)5(10,11)12/h3H,1H2
InChIKeyWURQGGXLGJCXFS-UHFFFAOYSA-N
MW196.06 g/mol
LogP3.01
Rot. Bonds2

About 3-(difluoromethyl)-2,3,4,4,4-pentafluorobut-1-ene

3-(difluoromethyl)-2,3,4,4,4-pentafluorobut-1-ene (PubChem CID 118145936) has the molecular formula C5H3F7 and a molecular weight of 196.06 g/mol. Its IUPAC name is 3-(difluoromethyl)-2,3,4,4,4-pentafluorobut-1-ene.

Molecular Properties

Compound Name3-(difluoromethyl)-2,3,4,4,4-pentafluorobut-1-ene
PubChem CID118145936
Molecular FormulaC5H3F7
Molecular Weight196.06 g/mol
Exact Mass196.01
IUPAC Name3-(difluoromethyl)-2,3,4,4,4-pentafluorobut-1-ene
SMILESC=C(F)C(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C5H3F7/c1-2(6)4(9,3(7)8)5(10,11)12/h3H,1H2
InChIKeyWURQGGXLGJCXFS-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.06
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2,3,4,4,4-pentafluorobut-1-ene?
The IUPAC name of 3-(difluoromethyl)-2,3,4,4,4-pentafluorobut-1-ene (CID 118145936) is 3-(difluoromethyl)-2,3,4,4,4-pentafluorobut-1-ene.
What is the SMILES notation for 3-(difluoromethyl)-2,3,4,4,4-pentafluorobut-1-ene?
The canonical SMILES for 3-(difluoromethyl)-2,3,4,4,4-pentafluorobut-1-ene is C=C(F)C(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 3-(difluoromethyl)-2,3,4,4,4-pentafluorobut-1-ene?
The InChIKey is WURQGGXLGJCXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7/c1-2(6)4(9,3(7)8)5(10,11)12/h3H,1H2.
What are the key properties of 3-(difluoromethyl)-2,3,4,4,4-pentafluorobut-1-ene?
3-(difluoromethyl)-2,3,4,4,4-pentafluorobut-1-ene has a molecular weight of 196.06 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2,3,4,4,4-pentafluorobut-1-ene is sourced from PubChem (CID 118145936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).