1-bromo-5-(trifluoromethylsulfonyl)pentane

C6H10BrF3O2S — CID 87838725

IUPAC1-bromo-5-(trifluoromethylsulfonyl)pentane
SMILESO=S(=O)(CCCCCBr)C(F)(F)F
InChIInChI=1S/C6H10BrF3O2S/c7-4-2-1-3-5-13(11,12)6(8,9)10/h1-5H2
InChIKeyDDVMAKYHTYTBFY-UHFFFAOYSA-N
MW283.11 g/mol
LogP2.49
Rot. Bonds5

About 1-bromo-5-(trifluoromethylsulfonyl)pentane

1-bromo-5-(trifluoromethylsulfonyl)pentane (PubChem CID 87838725) has the molecular formula C6H10BrF3O2S and a molecular weight of 283.11 g/mol. Its IUPAC name is 1-bromo-5-(trifluoromethylsulfonyl)pentane.

Molecular Properties

Compound Name1-bromo-5-(trifluoromethylsulfonyl)pentane
PubChem CID87838725
Molecular FormulaC6H10BrF3O2S
Molecular Weight283.11 g/mol
Exact Mass281.95
IUPAC Name1-bromo-5-(trifluoromethylsulfonyl)pentane
SMILESO=S(=O)(CCCCCBr)C(F)(F)F
InChIInChI=1S/C6H10BrF3O2S/c7-4-2-1-3-5-13(11,12)6(8,9)10/h1-5H2
InChIKeyDDVMAKYHTYTBFY-UHFFFAOYSA-N
XLogP2.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-bromo-5-(trifluoromethylsulfonyl)pentane?
The IUPAC name of 1-bromo-5-(trifluoromethylsulfonyl)pentane (CID 87838725) is 1-bromo-5-(trifluoromethylsulfonyl)pentane.
What is the SMILES notation for 1-bromo-5-(trifluoromethylsulfonyl)pentane?
The canonical SMILES for 1-bromo-5-(trifluoromethylsulfonyl)pentane is O=S(=O)(CCCCCBr)C(F)(F)F.
What is the InChIKey of 1-bromo-5-(trifluoromethylsulfonyl)pentane?
The InChIKey is DDVMAKYHTYTBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrF3O2S/c7-4-2-1-3-5-13(11,12)6(8,9)10/h1-5H2.
What are the key properties of 1-bromo-5-(trifluoromethylsulfonyl)pentane?
1-bromo-5-(trifluoromethylsulfonyl)pentane has a molecular weight of 283.11 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(trifluoromethylsulfonyl)pentane is sourced from PubChem (CID 87838725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).