3-(difluoromethyl)-1,4,4-trifluorobuta-1,2-diene

C5H3F5 — CID 23270119

IUPAC3-(difluoromethyl)-1,4,4-trifluorobuta-1,2-diene
SMILESFC=C=C(C(F)F)C(F)F
InChIInChI=1S/C5H3F5/c6-2-1-3(4(7)8)5(9)10/h2,4-5H
InChIKeyYQMNSAJICNBTJE-UHFFFAOYSA-N
MW158.07 g/mol
LogP2.53
Rot. Bonds2

About 3-(difluoromethyl)-1,4,4-trifluorobuta-1,2-diene

3-(difluoromethyl)-1,4,4-trifluorobuta-1,2-diene (PubChem CID 23270119) has the molecular formula C5H3F5 and a molecular weight of 158.07 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,4,4-trifluorobuta-1,2-diene.

Molecular Properties

Compound Name3-(difluoromethyl)-1,4,4-trifluorobuta-1,2-diene
PubChem CID23270119
Molecular FormulaC5H3F5
Molecular Weight158.07 g/mol
Exact Mass158.02
IUPAC Name3-(difluoromethyl)-1,4,4-trifluorobuta-1,2-diene
SMILESFC=C=C(C(F)F)C(F)F
InChIInChI=1S/C5H3F5/c6-2-1-3(4(7)8)5(9)10/h2,4-5H
InChIKeyYQMNSAJICNBTJE-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.07
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,4,4-trifluorobuta-1,2-diene?
The IUPAC name of 3-(difluoromethyl)-1,4,4-trifluorobuta-1,2-diene (CID 23270119) is 3-(difluoromethyl)-1,4,4-trifluorobuta-1,2-diene.
What is the SMILES notation for 3-(difluoromethyl)-1,4,4-trifluorobuta-1,2-diene?
The canonical SMILES for 3-(difluoromethyl)-1,4,4-trifluorobuta-1,2-diene is FC=C=C(C(F)F)C(F)F.
What is the InChIKey of 3-(difluoromethyl)-1,4,4-trifluorobuta-1,2-diene?
The InChIKey is YQMNSAJICNBTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5/c6-2-1-3(4(7)8)5(9)10/h2,4-5H.
What are the key properties of 3-(difluoromethyl)-1,4,4-trifluorobuta-1,2-diene?
3-(difluoromethyl)-1,4,4-trifluorobuta-1,2-diene has a molecular weight of 158.07 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,4,4-trifluorobuta-1,2-diene is sourced from PubChem (CID 23270119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).