5-bromo-1,1,1-trifluoro-2-(fluoromethyl)-4-iodopentane

C6H8BrF4I — CID 58901171

IUPAC5-bromo-1,1,1-trifluoro-2-(fluoromethyl)-4-iodopentane
SMILESFCC(CC(I)CBr)C(F)(F)F
InChIInChI=1S/C6H8BrF4I/c7-2-5(12)1-4(3-8)6(9,10)11/h4-5H,1-3H2
InChIKeyLCDLKFOQLKBMIZ-UHFFFAOYSA-N
MW362.93 g/mol
LogP3.72
Rot. Bonds4

About 5-bromo-1,1,1-trifluoro-2-(fluoromethyl)-4-iodopentane

5-bromo-1,1,1-trifluoro-2-(fluoromethyl)-4-iodopentane (PubChem CID 58901171) has the molecular formula C6H8BrF4I and a molecular weight of 362.93 g/mol. Its IUPAC name is 5-bromo-1,1,1-trifluoro-2-(fluoromethyl)-4-iodopentane.

Molecular Properties

Compound Name5-bromo-1,1,1-trifluoro-2-(fluoromethyl)-4-iodopentane
PubChem CID58901171
Molecular FormulaC6H8BrF4I
Molecular Weight362.93 g/mol
Exact Mass361.88
IUPAC Name5-bromo-1,1,1-trifluoro-2-(fluoromethyl)-4-iodopentane
SMILESFCC(CC(I)CBr)C(F)(F)F
InChIInChI=1S/C6H8BrF4I/c7-2-5(12)1-4(3-8)6(9,10)11/h4-5H,1-3H2
InChIKeyLCDLKFOQLKBMIZ-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,1,1-trifluoro-2-(fluoromethyl)-4-iodopentane?
The IUPAC name of 5-bromo-1,1,1-trifluoro-2-(fluoromethyl)-4-iodopentane (CID 58901171) is 5-bromo-1,1,1-trifluoro-2-(fluoromethyl)-4-iodopentane.
What is the SMILES notation for 5-bromo-1,1,1-trifluoro-2-(fluoromethyl)-4-iodopentane?
The canonical SMILES for 5-bromo-1,1,1-trifluoro-2-(fluoromethyl)-4-iodopentane is FCC(CC(I)CBr)C(F)(F)F.
What is the InChIKey of 5-bromo-1,1,1-trifluoro-2-(fluoromethyl)-4-iodopentane?
The InChIKey is LCDLKFOQLKBMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrF4I/c7-2-5(12)1-4(3-8)6(9,10)11/h4-5H,1-3H2.
What are the key properties of 5-bromo-1,1,1-trifluoro-2-(fluoromethyl)-4-iodopentane?
5-bromo-1,1,1-trifluoro-2-(fluoromethyl)-4-iodopentane has a molecular weight of 362.93 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,1,1-trifluoro-2-(fluoromethyl)-4-iodopentane is sourced from PubChem (CID 58901171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).