1-bromo-5-(trifluoromethoxy)pentane

C6H10BrF3O — CID 59745714

IUPAC1-bromo-5-(trifluoromethoxy)pentane
SMILESFC(F)(F)OCCCCCBr
InChIInChI=1S/C6H10BrF3O/c7-4-2-1-3-5-11-6(8,9)10/h1-5H2
InChIKeyXMBDCQNLYPKLBN-UHFFFAOYSA-N
MW235.04 g/mol
LogP3.09
Rot. Bonds5

About 1-bromo-5-(trifluoromethoxy)pentane

1-bromo-5-(trifluoromethoxy)pentane (PubChem CID 59745714) has the molecular formula C6H10BrF3O and a molecular weight of 235.04 g/mol. Its IUPAC name is 1-bromo-5-(trifluoromethoxy)pentane.

Molecular Properties

Compound Name1-bromo-5-(trifluoromethoxy)pentane
PubChem CID59745714
Molecular FormulaC6H10BrF3O
Molecular Weight235.04 g/mol
Exact Mass233.99
IUPAC Name1-bromo-5-(trifluoromethoxy)pentane
SMILESFC(F)(F)OCCCCCBr
InChIInChI=1S/C6H10BrF3O/c7-4-2-1-3-5-11-6(8,9)10/h1-5H2
InChIKeyXMBDCQNLYPKLBN-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.04
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Bromo-5-(2-fluoroethoxy)pentane
CID 10889229
1-Bromo-3-(2,2,2-trifluoroethoxy)propane
CID 43135433
1-Bromo-4-(2,2,2-trifluoroethoxy)butane
CID 43165182
1-Bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentane
CID 54317384
1-Bromo-4-trifluoromethoxybutane
CID 58219573
1-Bromo-5-(2,2,2-trifluoroethoxy)pentane
CID 62605135
1-(2-Bromo-1,1,2-trifluoroethoxy)pentane
CID 139683243
1-Bromo-5-(trifluoromethylsulfanyloxy)pentane
CID 175058528
1-Bromo-4-(2,2,3,3-tetrafluoropropoxy)butane
CID 43165218
4-Bromo-1-(2,2,2-trifluoroethoxy)pentane
CID 54772582
1-Bromo-6-(2,2,2-trifluoroethoxy)hexane
CID 64507348
1-Bromo-6-trifluoromethoxy-hexane
CID 75529909

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(trifluoromethoxy)pentane?
The IUPAC name of 1-bromo-5-(trifluoromethoxy)pentane (CID 59745714) is 1-bromo-5-(trifluoromethoxy)pentane.
What is the SMILES notation for 1-bromo-5-(trifluoromethoxy)pentane?
The canonical SMILES for 1-bromo-5-(trifluoromethoxy)pentane is FC(F)(F)OCCCCCBr.
What is the InChIKey of 1-bromo-5-(trifluoromethoxy)pentane?
The InChIKey is XMBDCQNLYPKLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrF3O/c7-4-2-1-3-5-11-6(8,9)10/h1-5H2.
What are the key properties of 1-bromo-5-(trifluoromethoxy)pentane?
1-bromo-5-(trifluoromethoxy)pentane has a molecular weight of 235.04 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(trifluoromethoxy)pentane is sourced from PubChem (CID 59745714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).