1-[bromo(difluoro)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene

C5HBrF8O — CID 87322014

IUPAC1-[bromo(difluoro)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene
SMILESFC(F)(Br)OC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HBrF8O/c6-5(13,14)15-1-2(3(7,8)9)4(10,11)12/h1H
InChIKeyOAFPMCKDFYDZFW-UHFFFAOYSA-N
MW308.95 g/mol
LogP3.96
Rot. Bonds2

About 1-[bromo(difluoro)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene

1-[bromo(difluoro)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene (PubChem CID 87322014) has the molecular formula C5HBrF8O and a molecular weight of 308.95 g/mol. Its IUPAC name is 1-[bromo(difluoro)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene.

Molecular Properties

Compound Name1-[bromo(difluoro)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene
PubChem CID87322014
Molecular FormulaC5HBrF8O
Molecular Weight308.95 g/mol
Exact Mass307.91
IUPAC Name1-[bromo(difluoro)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene
SMILESFC(F)(Br)OC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HBrF8O/c6-5(13,14)15-1-2(3(7,8)9)4(10,11)12/h1H
InChIKeyOAFPMCKDFYDZFW-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.95
LogP ≤ 53.96
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 1-[bromo(difluoro)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene?
The IUPAC name of 1-[bromo(difluoro)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene (CID 87322014) is 1-[bromo(difluoro)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene.
What is the SMILES notation for 1-[bromo(difluoro)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene?
The canonical SMILES for 1-[bromo(difluoro)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene is FC(F)(Br)OC=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[bromo(difluoro)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene?
The InChIKey is OAFPMCKDFYDZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HBrF8O/c6-5(13,14)15-1-2(3(7,8)9)4(10,11)12/h1H.
What are the key properties of 1-[bromo(difluoro)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene?
1-[bromo(difluoro)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene has a molecular weight of 308.95 g/mol, XLogP of 3.96, 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]-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene is sourced from PubChem (CID 87322014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).