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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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).