(E)-1,3-difluoro-2-methylbut-2-ene

C5H8F2 — CID 58952813

IUPAC(E)-1,3-difluoro-2-methylbut-2-ene
SMILESC/C(F)=C(/C)CF
InChIInChI=1S/C5H8F2/c1-4(3-6)5(2)7/h3H2,1-2H3/b5-4+
InChIKeyQIHSFLFSVDUSBO-SNAWJCMRSA-N
MW106.11 g/mol
LogP2.22
Rot. Bonds1

About (E)-1,3-difluoro-2-methylbut-2-ene

(E)-1,3-difluoro-2-methylbut-2-ene (PubChem CID 58952813) has the molecular formula C5H8F2 and a molecular weight of 106.11 g/mol. Its IUPAC name is (E)-1,3-difluoro-2-methylbut-2-ene.

Molecular Properties

Compound Name(E)-1,3-difluoro-2-methylbut-2-ene
PubChem CID58952813
Molecular FormulaC5H8F2
Molecular Weight106.11 g/mol
Exact Mass106.06
IUPAC Name(E)-1,3-difluoro-2-methylbut-2-ene
SMILESC/C(F)=C(/C)CF
InChIInChI=1S/C5H8F2/c1-4(3-6)5(2)7/h3H2,1-2H3/b5-4+
InChIKeyQIHSFLFSVDUSBO-SNAWJCMRSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.11
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (E)-1,3-difluoro-2-methylbut-2-ene?
The IUPAC name of (E)-1,3-difluoro-2-methylbut-2-ene (CID 58952813) is (E)-1,3-difluoro-2-methylbut-2-ene.
What is the SMILES notation for (E)-1,3-difluoro-2-methylbut-2-ene?
The canonical SMILES for (E)-1,3-difluoro-2-methylbut-2-ene is C/C(F)=C(/C)CF.
What is the InChIKey of (E)-1,3-difluoro-2-methylbut-2-ene?
The InChIKey is QIHSFLFSVDUSBO-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H8F2/c1-4(3-6)5(2)7/h3H2,1-2H3/b5-4+.
What are the key properties of (E)-1,3-difluoro-2-methylbut-2-ene?
(E)-1,3-difluoro-2-methylbut-2-ene has a molecular weight of 106.11 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-difluoro-2-methylbut-2-ene is sourced from PubChem (CID 58952813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).