1-(bromomethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane

C5H2BrF9O — CID 175695876

IUPAC1-(bromomethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
SMILESFC(F)(F)C(F)(C(F)(F)F)C(F)(F)OCBr
InChIInChI=1S/C5H2BrF9O/c6-1-16-5(14,15)2(7,3(8,9)10)4(11,12)13/h1H2
InChIKeyBJGSWFUZOBOOGG-UHFFFAOYSA-N
MW328.96 g/mol
LogP3.78
Rot. Bonds3

About 1-(bromomethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane

1-(bromomethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane (PubChem CID 175695876) has the molecular formula C5H2BrF9O and a molecular weight of 328.96 g/mol. Its IUPAC name is 1-(bromomethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane.

Molecular Properties

Compound Name1-(bromomethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
PubChem CID175695876
Molecular FormulaC5H2BrF9O
Molecular Weight328.96 g/mol
Exact Mass327.91
IUPAC Name1-(bromomethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
SMILESFC(F)(F)C(F)(C(F)(F)F)C(F)(F)OCBr
InChIInChI=1S/C5H2BrF9O/c6-1-16-5(14,15)2(7,3(8,9)10)4(11,12)13/h1H2
InChIKeyBJGSWFUZOBOOGG-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.96
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[difluoro(prop-2-enoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 87459958
2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 22450708
2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 4156734
2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane
CID 58957484
1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane
CID 158764810
2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane
CID 87992619
1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
CID 175756369
1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane
CID 11805140
1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane
CID 175593131
1-butan-2-ylperoxy-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
CID 151831484
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-propoxy-2-(trifluoromethyl)octane
CID 135287934
1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane
CID 2775955

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The IUPAC name of 1-(bromomethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane (CID 175695876) is 1-(bromomethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane.
What is the SMILES notation for 1-(bromomethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The canonical SMILES for 1-(bromomethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane is FC(F)(F)C(F)(C(F)(F)F)C(F)(F)OCBr.
What is the InChIKey of 1-(bromomethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The InChIKey is BJGSWFUZOBOOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrF9O/c6-1-16-5(14,15)2(7,3(8,9)10)4(11,12)13/h1H2.
What are the key properties of 1-(bromomethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
1-(bromomethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane has a molecular weight of 328.96 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane is sourced from PubChem (CID 175695876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).