5-bromo-1,1,1-trifluoropentane chloride

C5H8BrClF3- — CID 158477486

IUPAC5-bromo-1,1,1-trifluoropentane chloride
SMILESFC(F)(F)CCCCBr.[Cl-]
InChIInChI=1S/C5H8BrF3.ClH/c6-4-2-1-3-5(7,8)9;/h1-4H2;1H/p-1
InChIKeyHHCPDEOCCZFUBJ-UHFFFAOYSA-M
MW240.47 g/mol
LogP0.12
Rot. Bonds3

About 5-bromo-1,1,1-trifluoropentane chloride

5-bromo-1,1,1-trifluoropentane chloride (PubChem CID 158477486) has the molecular formula C5H8BrClF3- and a molecular weight of 240.47 g/mol. Its IUPAC name is 5-bromo-1,1,1-trifluoropentane chloride.

Molecular Properties

Compound Name5-bromo-1,1,1-trifluoropentane chloride
PubChem CID158477486
Molecular FormulaC5H8BrClF3-
Molecular Weight240.47 g/mol
Exact Mass238.95
IUPAC Name5-bromo-1,1,1-trifluoropentane chloride
SMILESFC(F)(F)CCCCBr.[Cl-]
InChIInChI=1S/C5H8BrF3.ClH/c6-4-2-1-3-5(7,8)9;/h1-4H2;1H/p-1
InChIKeyHHCPDEOCCZFUBJ-UHFFFAOYSA-M
XLogP0.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.47
LogP ≤ 50.12
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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Related Compounds

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11-bromo-1,1,1-trifluoroundecan-6-one
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,1,1-trifluoropentane chloride?
The IUPAC name of 5-bromo-1,1,1-trifluoropentane chloride (CID 158477486) is 5-bromo-1,1,1-trifluoropentane chloride.
What is the SMILES notation for 5-bromo-1,1,1-trifluoropentane chloride?
The canonical SMILES for 5-bromo-1,1,1-trifluoropentane chloride is FC(F)(F)CCCCBr.[Cl-].
What is the InChIKey of 5-bromo-1,1,1-trifluoropentane chloride?
The InChIKey is HHCPDEOCCZFUBJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8BrF3.ClH/c6-4-2-1-3-5(7,8)9;/h1-4H2;1H/p-1.
What are the key properties of 5-bromo-1,1,1-trifluoropentane chloride?
5-bromo-1,1,1-trifluoropentane chloride has a molecular weight of 240.47 g/mol, XLogP of 0.12, 3 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-trifluoropentane chloride is sourced from PubChem (CID 158477486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).