1,3-difluoro-2-(fluoromethyl)but-2-ene

C5H7F3 — CID 59682534

IUPAC1,3-difluoro-2-(fluoromethyl)but-2-ene
SMILESCC(F)=C(CF)CF
InChIInChI=1S/C5H7F3/c1-4(8)5(2-6)3-7/h2-3H2,1H3
InChIKeyDVLMZJDIKVLTHR-UHFFFAOYSA-N
MW124.10 g/mol
LogP2.17
Rot. Bonds2

About 1,3-difluoro-2-(fluoromethyl)but-2-ene

1,3-difluoro-2-(fluoromethyl)but-2-ene (PubChem CID 59682534) has the molecular formula C5H7F3 and a molecular weight of 124.10 g/mol. Its IUPAC name is 1,3-difluoro-2-(fluoromethyl)but-2-ene.

Molecular Properties

Compound Name1,3-difluoro-2-(fluoromethyl)but-2-ene
PubChem CID59682534
Molecular FormulaC5H7F3
Molecular Weight124.10 g/mol
Exact Mass124.05
IUPAC Name1,3-difluoro-2-(fluoromethyl)but-2-ene
SMILESCC(F)=C(CF)CF
InChIInChI=1S/C5H7F3/c1-4(8)5(2-6)3-7/h2-3H2,1H3
InChIKeyDVLMZJDIKVLTHR-UHFFFAOYSA-N
XLogP2.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-Difluoro-3-methylbuta-1,2-diene
CID 12769992
1,1-Difluoro-2-methylprop-1-ene
CID 13087755
1,1,1-Trifluoro-2,3-dimethylbut-2-ene
CID 17861557
Trifluoroisobutene
CID 19788889
2-Fluoro-3-methyl-2-butene
CID 20723941
1,1,1,2-Tetrafluoro-3-methylbut-2-ene
CID 13862021
(Z)-2,3-difluorobut-2-ene
CID 18332036
(Z)-1,1,1,2,4,4-hexafluoro-3-methylbut-2-ene
CID 19781234
1,1,1-Trifluoro-3-methyl-2-(trifluoromethyl)but-2-ene
CID 20676946
(Z)-1,1,1,4,4,4-hexafluoro-2,3-dimethylbut-2-ene
CID 21062403
(Z)-1,2,3-trifluorobut-2-ene
CID 23579456
2,3-Difluorobut-2-ene
CID 53739983

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(fluoromethyl)but-2-ene?
The IUPAC name of 1,3-difluoro-2-(fluoromethyl)but-2-ene (CID 59682534) is 1,3-difluoro-2-(fluoromethyl)but-2-ene.
What is the SMILES notation for 1,3-difluoro-2-(fluoromethyl)but-2-ene?
The canonical SMILES for 1,3-difluoro-2-(fluoromethyl)but-2-ene is CC(F)=C(CF)CF.
What is the InChIKey of 1,3-difluoro-2-(fluoromethyl)but-2-ene?
The InChIKey is DVLMZJDIKVLTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3/c1-4(8)5(2-6)3-7/h2-3H2,1H3.
What are the key properties of 1,3-difluoro-2-(fluoromethyl)but-2-ene?
1,3-difluoro-2-(fluoromethyl)but-2-ene has a molecular weight of 124.10 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-(fluoromethyl)but-2-ene is sourced from PubChem (CID 59682534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).