2-[bromo(difluoro)methyl]-1,1,3,3,3-pentafluoroprop-1-ene

C4BrF7 — CID 564811

IUPAC2-[bromo(difluoro)methyl]-1,1,3,3,3-pentafluoroprop-1-ene
SMILESFC(F)=C(C(F)(F)F)C(F)(F)Br
InChIInChI=1S/C4BrF7/c5-3(8,9)1(2(6)7)4(10,11)12
InChIKeyWUQWKTCKIRGNQV-UHFFFAOYSA-N
MW260.93 g/mol
LogP3.69
Rot. Bonds1

About 2-[bromo(difluoro)methyl]-1,1,3,3,3-pentafluoroprop-1-ene

2-[bromo(difluoro)methyl]-1,1,3,3,3-pentafluoroprop-1-ene (PubChem CID 564811) has the molecular formula C4BrF7 and a molecular weight of 260.93 g/mol. Its IUPAC name is 2-[bromo(difluoro)methyl]-1,1,3,3,3-pentafluoroprop-1-ene.

Molecular Properties

Compound Name2-[bromo(difluoro)methyl]-1,1,3,3,3-pentafluoroprop-1-ene
PubChem CID564811
Molecular FormulaC4BrF7
Molecular Weight260.93 g/mol
Exact Mass259.91
IUPAC Name2-[bromo(difluoro)methyl]-1,1,3,3,3-pentafluoroprop-1-ene
SMILESFC(F)=C(C(F)(F)F)C(F)(F)Br
InChIInChI=1S/C4BrF7/c5-3(8,9)1(2(6)7)4(10,11)12
InChIKeyWUQWKTCKIRGNQV-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.93
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethene;1,1,3,3,3-pentafluoro-2-(trifluoromethyl)prop-1-ene
CID 88622012
2-[difluoro(methoxy)methyl]-1,1,3,3,3-pentafluoroprop-1-ene
CID 15829255
(E)-1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene
CID 2783195
1,1,3,3-tetrafluoro-4-methyl-2-(trifluoromethyl)pent-1-ene
CID 23264394
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide
CID 88822630
1,1,2,3,3,3-hexafluoroprop-1-ene hexafluoride
CID 158507294
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrofluoride
CID 162622378
1,1,3,4,4,5,6,6,6-nonafluoro-2,3,5-tris(trifluoromethyl)hex-1-ene
CID 87932326
zinc;1,1,2,3,3,3-hexafluoroprop-1-ene;oxygen(2-)
CID 158339432
ethene;1,1,2,3,3,3-hexafluoroprop-1-ene
CID 87565664
4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)morpholine
CID 118673874
(E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene
CID 23234723

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(difluoro)methyl]-1,1,3,3,3-pentafluoroprop-1-ene?
The IUPAC name of 2-[bromo(difluoro)methyl]-1,1,3,3,3-pentafluoroprop-1-ene (CID 564811) is 2-[bromo(difluoro)methyl]-1,1,3,3,3-pentafluoroprop-1-ene.
What is the SMILES notation for 2-[bromo(difluoro)methyl]-1,1,3,3,3-pentafluoroprop-1-ene?
The canonical SMILES for 2-[bromo(difluoro)methyl]-1,1,3,3,3-pentafluoroprop-1-ene is FC(F)=C(C(F)(F)F)C(F)(F)Br.
What is the InChIKey of 2-[bromo(difluoro)methyl]-1,1,3,3,3-pentafluoroprop-1-ene?
The InChIKey is WUQWKTCKIRGNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4BrF7/c5-3(8,9)1(2(6)7)4(10,11)12.
What are the key properties of 2-[bromo(difluoro)methyl]-1,1,3,3,3-pentafluoroprop-1-ene?
2-[bromo(difluoro)methyl]-1,1,3,3,3-pentafluoroprop-1-ene has a molecular weight of 260.93 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(difluoro)methyl]-1,1,3,3,3-pentafluoroprop-1-ene is sourced from PubChem (CID 564811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).