2-(difluoromethyl)-1,1,3,3-tetrafluorobut-1-ene

C5H4F6 — CID 19781229

IUPAC2-(difluoromethyl)-1,1,3,3-tetrafluorobut-1-ene
SMILESCC(F)(F)C(=C(F)F)C(F)F
InChIInChI=1S/C5H4F6/c1-5(10,11)2(3(6)7)4(8)9/h3H,1H3
InChIKeyJYPVRTPGKARMHB-UHFFFAOYSA-N
MW178.08 g/mol
LogP3.06
Rot. Bonds2

About 2-(difluoromethyl)-1,1,3,3-tetrafluorobut-1-ene

2-(difluoromethyl)-1,1,3,3-tetrafluorobut-1-ene (PubChem CID 19781229) has the molecular formula C5H4F6 and a molecular weight of 178.08 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,1,3,3-tetrafluorobut-1-ene.

Molecular Properties

Compound Name2-(difluoromethyl)-1,1,3,3-tetrafluorobut-1-ene
PubChem CID19781229
Molecular FormulaC5H4F6
Molecular Weight178.08 g/mol
Exact Mass178.02
IUPAC Name2-(difluoromethyl)-1,1,3,3-tetrafluorobut-1-ene
SMILESCC(F)(F)C(=C(F)F)C(F)F
InChIInChI=1S/C5H4F6/c1-5(10,11)2(3(6)7)4(8)9/h3H,1H3
InChIKeyJYPVRTPGKARMHB-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.08
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,1,3,3-tetrafluorobut-1-ene?
The IUPAC name of 2-(difluoromethyl)-1,1,3,3-tetrafluorobut-1-ene (CID 19781229) is 2-(difluoromethyl)-1,1,3,3-tetrafluorobut-1-ene.
What is the SMILES notation for 2-(difluoromethyl)-1,1,3,3-tetrafluorobut-1-ene?
The canonical SMILES for 2-(difluoromethyl)-1,1,3,3-tetrafluorobut-1-ene is CC(F)(F)C(=C(F)F)C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,1,3,3-tetrafluorobut-1-ene?
The InChIKey is JYPVRTPGKARMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6/c1-5(10,11)2(3(6)7)4(8)9/h3H,1H3.
What are the key properties of 2-(difluoromethyl)-1,1,3,3-tetrafluorobut-1-ene?
2-(difluoromethyl)-1,1,3,3-tetrafluorobut-1-ene has a molecular weight of 178.08 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,1,3,3-tetrafluorobut-1-ene is sourced from PubChem (CID 19781229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).