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

C4H2BrF5O — CID 87322838

IUPAC2-[bromo(difluoro)methoxy]-3,3,3-trifluoroprop-1-ene
SMILESC=C(OC(F)(F)Br)C(F)(F)F
InChIInChI=1S/C4H2BrF5O/c1-2(3(6,7)8)11-4(5,9)10/h1H2
InChIKeyFWCCVNYMZFFSES-UHFFFAOYSA-N
MW240.95 g/mol
LogP3.02
Rot. Bonds2

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

2-[bromo(difluoro)methoxy]-3,3,3-trifluoroprop-1-ene (PubChem CID 87322838) has the molecular formula C4H2BrF5O and a molecular weight of 240.95 g/mol. Its IUPAC name is 2-[bromo(difluoro)methoxy]-3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name2-[bromo(difluoro)methoxy]-3,3,3-trifluoroprop-1-ene
PubChem CID87322838
Molecular FormulaC4H2BrF5O
Molecular Weight240.95 g/mol
Exact Mass239.92
IUPAC Name2-[bromo(difluoro)methoxy]-3,3,3-trifluoroprop-1-ene
SMILESC=C(OC(F)(F)Br)C(F)(F)F
InChIInChI=1S/C4H2BrF5O/c1-2(3(6,7)8)11-4(5,9)10/h1H2
InChIKeyFWCCVNYMZFFSES-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.95
LogP ≤ 53.02
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

1-[bromo(difluoro)methoxy]-1,2,3,3,3-pentafluoroprop-1-ene
CID 91199140
3,3,4,4,4-pentafluoro-2-(3,3,4,4,4-pentafluorobut-1-en-2-yloxy)but-1-ene
CID 56625874
2-dimethylphosphoryloxy-3,3,3-trifluoroprop-1-ene
CID 175343744
3,3,3-trifluoroprop-1-en-2-yl dihydrogen phosphate
CID 101194809
1-[2-[difluoro(3,3,3-trifluoroprop-1-en-2-yloxy)methyl]-1,1,2,3,3,3-hexafluoropropyl]pyrrolidine
CID 138726115
2-(trifluoromethoxy)but-1-ene
CID 90210903
astatane;2,3,3,3-tetrafluoroprop-1-ene
CID 174875947
2-(3,3-dideuterioprop-2-enoxy)-3,3,3-trifluoroprop-1-ene
CID 102437968
1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene
CID 135080500
ethane;3,3,3-trifluoroprop-1-en-2-ol
CID 142267098
3,3,3-trifluoroprop-1-en-2-yl 4-(4-hydroxyphenyl)benzoate
CID 67745909
4,4-dimethyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohex-2-en-1-ol
CID 165492141

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(difluoro)methoxy]-3,3,3-trifluoroprop-1-ene?
The IUPAC name of 2-[bromo(difluoro)methoxy]-3,3,3-trifluoroprop-1-ene (CID 87322838) is 2-[bromo(difluoro)methoxy]-3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for 2-[bromo(difluoro)methoxy]-3,3,3-trifluoroprop-1-ene?
The canonical SMILES for 2-[bromo(difluoro)methoxy]-3,3,3-trifluoroprop-1-ene is C=C(OC(F)(F)Br)C(F)(F)F.
What is the InChIKey of 2-[bromo(difluoro)methoxy]-3,3,3-trifluoroprop-1-ene?
The InChIKey is FWCCVNYMZFFSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrF5O/c1-2(3(6,7)8)11-4(5,9)10/h1H2.
What are the key properties of 2-[bromo(difluoro)methoxy]-3,3,3-trifluoroprop-1-ene?
2-[bromo(difluoro)methoxy]-3,3,3-trifluoroprop-1-ene has a molecular weight of 240.95 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(difluoro)methoxy]-3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 87322838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).