2-bromo-4-fluoro-3-methylidenepentane

C6H10BrF — CID 89209316

IUPAC2-bromo-4-fluoro-3-methylidenepentane
SMILESC=C(C(C)F)C(C)Br
InChIInChI=1S/C6H10BrF/c1-4(5(2)7)6(3)8/h5-6H,1H2,2-3H3
InChIKeyFKGRWFMYGHUJSG-UHFFFAOYSA-N
MW181.05 g/mol
LogP2.68
Rot. Bonds2

About 2-bromo-4-fluoro-3-methylidenepentane

2-bromo-4-fluoro-3-methylidenepentane (PubChem CID 89209316) has the molecular formula C6H10BrF and a molecular weight of 181.05 g/mol. Its IUPAC name is 2-bromo-4-fluoro-3-methylidenepentane.

Molecular Properties

Compound Name2-bromo-4-fluoro-3-methylidenepentane
PubChem CID89209316
Molecular FormulaC6H10BrF
Molecular Weight181.05 g/mol
Exact Mass179.99
IUPAC Name2-bromo-4-fluoro-3-methylidenepentane
SMILESC=C(C(C)F)C(C)Br
InChIInChI=1S/C6H10BrF/c1-4(5(2)7)6(3)8/h5-6H,1H2,2-3H3
InChIKeyFKGRWFMYGHUJSG-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.05
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-3-methylidenepentane?
The IUPAC name of 2-bromo-4-fluoro-3-methylidenepentane (CID 89209316) is 2-bromo-4-fluoro-3-methylidenepentane.
What is the SMILES notation for 2-bromo-4-fluoro-3-methylidenepentane?
The canonical SMILES for 2-bromo-4-fluoro-3-methylidenepentane is C=C(C(C)F)C(C)Br.
What is the InChIKey of 2-bromo-4-fluoro-3-methylidenepentane?
The InChIKey is FKGRWFMYGHUJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrF/c1-4(5(2)7)6(3)8/h5-6H,1H2,2-3H3.
What are the key properties of 2-bromo-4-fluoro-3-methylidenepentane?
2-bromo-4-fluoro-3-methylidenepentane has a molecular weight of 181.05 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-3-methylidenepentane is sourced from PubChem (CID 89209316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).