2-(2-bromo-3,3,3-trifluoropropoxy)-1,1,1,3,3,3-hexafluoropropane

C6H4BrF9O — CID 102722038

IUPAC2-(2-bromo-3,3,3-trifluoropropoxy)-1,1,1,3,3,3-hexafluoropropane
SMILESFC(F)(F)C(Br)COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4BrF9O/c7-2(4(8,9)10)1-17-3(5(11,12)13)6(14,15)16/h2-3H,1H2
InChIKeyQTFDNMYZJGEIAH-UHFFFAOYSA-N
MW342.98 g/mol
LogP3.82
Rot. Bonds3

About 2-(2-bromo-3,3,3-trifluoropropoxy)-1,1,1,3,3,3-hexafluoropropane

2-(2-bromo-3,3,3-trifluoropropoxy)-1,1,1,3,3,3-hexafluoropropane (PubChem CID 102722038) has the molecular formula C6H4BrF9O and a molecular weight of 342.98 g/mol. Its IUPAC name is 2-(2-bromo-3,3,3-trifluoropropoxy)-1,1,1,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name2-(2-bromo-3,3,3-trifluoropropoxy)-1,1,1,3,3,3-hexafluoropropane
PubChem CID102722038
Molecular FormulaC6H4BrF9O
Molecular Weight342.98 g/mol
Exact Mass341.93
IUPAC Name2-(2-bromo-3,3,3-trifluoropropoxy)-1,1,1,3,3,3-hexafluoropropane
SMILESFC(F)(F)C(Br)COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4BrF9O/c7-2(4(8,9)10)1-17-3(5(11,12)13)6(14,15)16/h2-3H,1H2
InChIKeyQTFDNMYZJGEIAH-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.98
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,3,3-trifluoropropoxy)-1,1,1,3,3,3-hexafluoropropane?
The IUPAC name of 2-(2-bromo-3,3,3-trifluoropropoxy)-1,1,1,3,3,3-hexafluoropropane (CID 102722038) is 2-(2-bromo-3,3,3-trifluoropropoxy)-1,1,1,3,3,3-hexafluoropropane.
What is the SMILES notation for 2-(2-bromo-3,3,3-trifluoropropoxy)-1,1,1,3,3,3-hexafluoropropane?
The canonical SMILES for 2-(2-bromo-3,3,3-trifluoropropoxy)-1,1,1,3,3,3-hexafluoropropane is FC(F)(F)C(Br)COC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(2-bromo-3,3,3-trifluoropropoxy)-1,1,1,3,3,3-hexafluoropropane?
The InChIKey is QTFDNMYZJGEIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF9O/c7-2(4(8,9)10)1-17-3(5(11,12)13)6(14,15)16/h2-3H,1H2.
What are the key properties of 2-(2-bromo-3,3,3-trifluoropropoxy)-1,1,1,3,3,3-hexafluoropropane?
2-(2-bromo-3,3,3-trifluoropropoxy)-1,1,1,3,3,3-hexafluoropropane has a molecular weight of 342.98 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,3,3-trifluoropropoxy)-1,1,1,3,3,3-hexafluoropropane is sourced from PubChem (CID 102722038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).