6-bromo-1,1,1-trifluoro-2-(trifluoromethyl)hexane

C7H9BrF6 — CID 87331014

IUPAC6-bromo-1,1,1-trifluoro-2-(trifluoromethyl)hexane
SMILESFC(F)(F)C(CCCCBr)C(F)(F)F
InChIInChI=1S/C7H9BrF6/c8-4-2-1-3-5(6(9,10)11)7(12,13)14/h5H,1-4H2
InChIKeyBNDRMNLHWPRMGH-UHFFFAOYSA-N
MW287.04 g/mol
LogP4.29
Rot. Bonds4

About 6-bromo-1,1,1-trifluoro-2-(trifluoromethyl)hexane

6-bromo-1,1,1-trifluoro-2-(trifluoromethyl)hexane (PubChem CID 87331014) has the molecular formula C7H9BrF6 and a molecular weight of 287.04 g/mol. Its IUPAC name is 6-bromo-1,1,1-trifluoro-2-(trifluoromethyl)hexane.

Molecular Properties

Compound Name6-bromo-1,1,1-trifluoro-2-(trifluoromethyl)hexane
PubChem CID87331014
Molecular FormulaC7H9BrF6
Molecular Weight287.04 g/mol
Exact Mass285.98
IUPAC Name6-bromo-1,1,1-trifluoro-2-(trifluoromethyl)hexane
SMILESFC(F)(F)C(CCCCBr)C(F)(F)F
InChIInChI=1S/C7H9BrF6/c8-4-2-1-3-5(6(9,10)11)7(12,13)14/h5H,1-4H2
InChIKeyBNDRMNLHWPRMGH-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.04
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,1,1-trifluoro-2-(trifluoromethyl)hexane?
The IUPAC name of 6-bromo-1,1,1-trifluoro-2-(trifluoromethyl)hexane (CID 87331014) is 6-bromo-1,1,1-trifluoro-2-(trifluoromethyl)hexane.
What is the SMILES notation for 6-bromo-1,1,1-trifluoro-2-(trifluoromethyl)hexane?
The canonical SMILES for 6-bromo-1,1,1-trifluoro-2-(trifluoromethyl)hexane is FC(F)(F)C(CCCCBr)C(F)(F)F.
What is the InChIKey of 6-bromo-1,1,1-trifluoro-2-(trifluoromethyl)hexane?
The InChIKey is BNDRMNLHWPRMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrF6/c8-4-2-1-3-5(6(9,10)11)7(12,13)14/h5H,1-4H2.
What are the key properties of 6-bromo-1,1,1-trifluoro-2-(trifluoromethyl)hexane?
6-bromo-1,1,1-trifluoro-2-(trifluoromethyl)hexane has a molecular weight of 287.04 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,1,1-trifluoro-2-(trifluoromethyl)hexane is sourced from PubChem (CID 87331014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).