1,3-difluorobut-2-ene

C8H12F4 — CID 157259439

IUPAC1,3-difluorobut-2-ene
SMILESCC(F)=CCF.CC(F)=CCF
InChIInChI=1S/2C4H6F2/c2*1-4(6)2-3-5/h2*2H,3H2,1H3
InChIKeyAXHBABJMUNCHMT-UHFFFAOYSA-N
MW184.18 g/mol
LogP3.66
Rot. Bonds2

About 1,3-difluorobut-2-ene

1,3-difluorobut-2-ene (PubChem CID 157259439) has the molecular formula C8H12F4 and a molecular weight of 184.18 g/mol. Its IUPAC name is 1,3-difluorobut-2-ene.

Molecular Properties

Compound Name1,3-difluorobut-2-ene
PubChem CID157259439
Molecular FormulaC8H12F4
Molecular Weight184.18 g/mol
Exact Mass184.09
IUPAC Name1,3-difluorobut-2-ene
SMILESCC(F)=CCF.CC(F)=CCF
InChIInChI=1S/2C4H6F2/c2*1-4(6)2-3-5/h2*2H,3H2,1H3
InChIKeyAXHBABJMUNCHMT-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(E)-3-chloro-1-fluorobut-2-ene
CID 142277240
(2E)-2-fluoro-6-methylhepta-2,5-diene
CID 143576133
ethene;1,1,3-trifluoroprop-1-ene
CID 91442449
4-fluoro-2-methylbut-2-enoic acid
CID 57003998
carbonic acid;1,1,3-trifluoroprop-1-ene
CID 135262117
(2E,4Z)-1,3-difluorohepta-2,4-diene
CID 142242505
(2E,5Z)-2,5-difluoro-6-methylocta-2,5-diene
CID 142010132
(E)-2-fluoro-5-methylhept-2-ene
CID 89043043
3-bromo-7-fluoro-5-methylhepta-1,3,5-triene
CID 123150055
1,3-difluoroprop-1-enyl methyl carbonate
CID 89437374
(Z)-1-diethoxyphosphoryl-3-fluorobut-2-ene
CID 15499028
(2E,4Z)-1,6-difluorohepta-2,4,6-trien-3-ol
CID 88877969

Frequently Asked Questions

What is the IUPAC name of 1,3-difluorobut-2-ene?
The IUPAC name of 1,3-difluorobut-2-ene (CID 157259439) is 1,3-difluorobut-2-ene.
What is the SMILES notation for 1,3-difluorobut-2-ene?
The canonical SMILES for 1,3-difluorobut-2-ene is CC(F)=CCF.CC(F)=CCF.
What is the InChIKey of 1,3-difluorobut-2-ene?
The InChIKey is AXHBABJMUNCHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6F2/c2*1-4(6)2-3-5/h2*2H,3H2,1H3.
What are the key properties of 1,3-difluorobut-2-ene?
1,3-difluorobut-2-ene has a molecular weight of 184.18 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluorobut-2-ene is sourced from PubChem (CID 157259439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).