3-(bromomethyl)-3-fluoropentane

C6H12BrF — CID 14965137

IUPAC3-(bromomethyl)-3-fluoropentane
SMILESCCC(F)(CC)CBr
InChIInChI=1S/C6H12BrF/c1-3-6(8,4-2)5-7/h3-5H2,1-2H3
InChIKeyVWQNOECMOSQJIY-UHFFFAOYSA-N
MW183.06 g/mol
LogP2.91
Rot. Bonds3

About 3-(bromomethyl)-3-fluoropentane

3-(bromomethyl)-3-fluoropentane (PubChem CID 14965137) has the molecular formula C6H12BrF and a molecular weight of 183.06 g/mol. Its IUPAC name is 3-(bromomethyl)-3-fluoropentane.

Molecular Properties

Compound Name3-(bromomethyl)-3-fluoropentane
PubChem CID14965137
Molecular FormulaC6H12BrF
Molecular Weight183.06 g/mol
Exact Mass182.01
IUPAC Name3-(bromomethyl)-3-fluoropentane
SMILESCCC(F)(CC)CBr
InChIInChI=1S/C6H12BrF/c1-3-6(8,4-2)5-7/h3-5H2,1-2H3
InChIKeyVWQNOECMOSQJIY-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.06
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-3-fluoropentane?
The IUPAC name of 3-(bromomethyl)-3-fluoropentane (CID 14965137) is 3-(bromomethyl)-3-fluoropentane.
What is the SMILES notation for 3-(bromomethyl)-3-fluoropentane?
The canonical SMILES for 3-(bromomethyl)-3-fluoropentane is CCC(F)(CC)CBr.
What is the InChIKey of 3-(bromomethyl)-3-fluoropentane?
The InChIKey is VWQNOECMOSQJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrF/c1-3-6(8,4-2)5-7/h3-5H2,1-2H3.
What are the key properties of 3-(bromomethyl)-3-fluoropentane?
3-(bromomethyl)-3-fluoropentane has a molecular weight of 183.06 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-3-fluoropentane is sourced from PubChem (CID 14965137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).