1-bromo-4,4-difluorobut-1-ene

C4H5BrF2 — CID 91007977

IUPAC1-bromo-4,4-difluorobut-1-ene
SMILESFC(F)CC=CBr
InChIInChI=1S/C4H5BrF2/c5-3-1-2-4(6)7/h1,3-4H,2H2
InChIKeyNGGAXSDREGIYRT-UHFFFAOYSA-N
MW170.98 g/mol
LogP2.55
Rot. Bonds2

About 1-bromo-4,4-difluorobut-1-ene

1-bromo-4,4-difluorobut-1-ene (PubChem CID 91007977) has the molecular formula C4H5BrF2 and a molecular weight of 170.98 g/mol. Its IUPAC name is 1-bromo-4,4-difluorobut-1-ene.

Molecular Properties

Compound Name1-bromo-4,4-difluorobut-1-ene
PubChem CID91007977
Molecular FormulaC4H5BrF2
Molecular Weight170.98 g/mol
Exact Mass169.95
IUPAC Name1-bromo-4,4-difluorobut-1-ene
SMILESFC(F)CC=CBr
InChIInChI=1S/C4H5BrF2/c5-3-1-2-4(6)7/h1,3-4H,2H2
InChIKeyNGGAXSDREGIYRT-UHFFFAOYSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.98
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1-Trifluoro-4-bromo-2-butene
CID 11052411
4-Bromo-1,1-difluorobut-1-ene
CID 2782240
4-Bromo-3-fluorobut-1-ene
CID 13147001
4-Bromo-1,1,1-trifluorobut-2-ene
CID 53640107
5-Bromo-5,5-difluoro-1-pentene
CID 555346
6-Bromo-5,5-difluorohex-1-ene
CID 10512188
(E)-1-bromo-4,4,4-trifluorobut-1-ene
CID 23049288
1-Bromo-3,3,4,4,4-pentafluorobut-1-ene
CID 23160031
1-Bromo-3,3,4,4,4-pentafluoro-1-butene
CID 53435062
1-Bromo-4-fluorobut-1-ene
CID 54066117
1-Bromo-3,3,4,4-tetrafluorobut-1-ene
CID 54171510
4-Bromo-3,4,4-trifluorobut-1-ene
CID 54324885

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4,4-difluorobut-1-ene?
The IUPAC name of 1-bromo-4,4-difluorobut-1-ene (CID 91007977) is 1-bromo-4,4-difluorobut-1-ene.
What is the SMILES notation for 1-bromo-4,4-difluorobut-1-ene?
The canonical SMILES for 1-bromo-4,4-difluorobut-1-ene is FC(F)CC=CBr.
What is the InChIKey of 1-bromo-4,4-difluorobut-1-ene?
The InChIKey is NGGAXSDREGIYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrF2/c5-3-1-2-4(6)7/h1,3-4H,2H2.
What are the key properties of 1-bromo-4,4-difluorobut-1-ene?
1-bromo-4,4-difluorobut-1-ene has a molecular weight of 170.98 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4,4-difluorobut-1-ene is sourced from PubChem (CID 91007977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).