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

C4BrF7O — CID 91199140

IUPAC1-[bromo(difluoro)methoxy]-1,2,3,3,3-pentafluoroprop-1-ene
SMILESFC(OC(F)(F)Br)=C(F)C(F)(F)F
InChIInChI=1S/C4BrF7O/c5-4(11,12)13-2(7)1(6)3(8,9)10
InChIKeyNVXXQPJRSGZHTA-UHFFFAOYSA-N
MW276.93 g/mol
LogP3.62
Rot. Bonds2

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

1-[bromo(difluoro)methoxy]-1,2,3,3,3-pentafluoroprop-1-ene (PubChem CID 91199140) has the molecular formula C4BrF7O and a molecular weight of 276.93 g/mol. Its IUPAC name is 1-[bromo(difluoro)methoxy]-1,2,3,3,3-pentafluoroprop-1-ene.

Molecular Properties

Compound Name1-[bromo(difluoro)methoxy]-1,2,3,3,3-pentafluoroprop-1-ene
PubChem CID91199140
Molecular FormulaC4BrF7O
Molecular Weight276.93 g/mol
Exact Mass275.90
IUPAC Name1-[bromo(difluoro)methoxy]-1,2,3,3,3-pentafluoroprop-1-ene
SMILESFC(OC(F)(F)Br)=C(F)C(F)(F)F
InChIInChI=1S/C4BrF7O/c5-4(11,12)13-2(7)1(6)3(8,9)10
InChIKeyNVXXQPJRSGZHTA-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.93
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(E)-1,2,3,3,3-pentafluoro-1-(trifluoromethoxy)prop-1-ene
CID 14875812
1,2,3,3,3-pentafluoro-1-(1,2,3,3,3-pentafluoroprop-1-enoxy)prop-1-ene
CID 57349567
(E)-1,2,3,3,3-pentafluoro-1-methoxyprop-1-ene
CID 10176261
2-[bromo(difluoro)methoxy]-3,3,3-trifluoroprop-1-ene
CID 87322838
(E)-1,4-dibromo-1,1,2,3,4,4-hexafluorobut-2-ene
CID 2783195
(E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene
CID 23234723
(E)-1,1,1,2,3,4-hexafluoro-4-methylpent-2-ene
CID 163535527
2-[bromo(difluoro)methyl]-1,1,3,3,3-pentafluoroprop-1-ene
CID 564811
1,1,2,3,3,3-hexafluoroprop-1-ene hexafluoride
CID 158507294
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide
CID 88822630
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrofluoride
CID 162622378
1,2-difluoro-1,2-bis(trifluoromethoxy)ethene
CID 86055919

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(difluoro)methoxy]-1,2,3,3,3-pentafluoroprop-1-ene?
The IUPAC name of 1-[bromo(difluoro)methoxy]-1,2,3,3,3-pentafluoroprop-1-ene (CID 91199140) is 1-[bromo(difluoro)methoxy]-1,2,3,3,3-pentafluoroprop-1-ene.
What is the SMILES notation for 1-[bromo(difluoro)methoxy]-1,2,3,3,3-pentafluoroprop-1-ene?
The canonical SMILES for 1-[bromo(difluoro)methoxy]-1,2,3,3,3-pentafluoroprop-1-ene is FC(OC(F)(F)Br)=C(F)C(F)(F)F.
What is the InChIKey of 1-[bromo(difluoro)methoxy]-1,2,3,3,3-pentafluoroprop-1-ene?
The InChIKey is NVXXQPJRSGZHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4BrF7O/c5-4(11,12)13-2(7)1(6)3(8,9)10.
What are the key properties of 1-[bromo(difluoro)methoxy]-1,2,3,3,3-pentafluoroprop-1-ene?
1-[bromo(difluoro)methoxy]-1,2,3,3,3-pentafluoroprop-1-ene has a molecular weight of 276.93 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(difluoro)methoxy]-1,2,3,3,3-pentafluoroprop-1-ene is sourced from PubChem (CID 91199140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).