1-bromo-2,2-difluoro-4-methylpentane

C6H11BrF2 — CID 115022141

IUPAC1-bromo-2,2-difluoro-4-methylpentane
SMILESCC(C)CC(F)(F)CBr
InChIInChI=1S/C6H11BrF2/c1-5(2)3-6(8,9)4-7/h5H,3-4H2,1-2H3
InChIKeyVRRBAXXPMPQNPK-UHFFFAOYSA-N
MW201.05 g/mol
LogP3.06
Rot. Bonds3

About 1-bromo-2,2-difluoro-4-methylpentane

1-bromo-2,2-difluoro-4-methylpentane (PubChem CID 115022141) has the molecular formula C6H11BrF2 and a molecular weight of 201.05 g/mol. Its IUPAC name is 1-bromo-2,2-difluoro-4-methylpentane.

Molecular Properties

Compound Name1-bromo-2,2-difluoro-4-methylpentane
PubChem CID115022141
Molecular FormulaC6H11BrF2
Molecular Weight201.05 g/mol
Exact Mass200.00
IUPAC Name1-bromo-2,2-difluoro-4-methylpentane
SMILESCC(C)CC(F)(F)CBr
InChIInChI=1S/C6H11BrF2/c1-5(2)3-6(8,9)4-7/h5H,3-4H2,1-2H3
InChIKeyVRRBAXXPMPQNPK-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.05
LogP ≤ 53.06
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 1-bromo-2,2-difluoro-4-methylpentane?
The IUPAC name of 1-bromo-2,2-difluoro-4-methylpentane (CID 115022141) is 1-bromo-2,2-difluoro-4-methylpentane.
What is the SMILES notation for 1-bromo-2,2-difluoro-4-methylpentane?
The canonical SMILES for 1-bromo-2,2-difluoro-4-methylpentane is CC(C)CC(F)(F)CBr.
What is the InChIKey of 1-bromo-2,2-difluoro-4-methylpentane?
The InChIKey is VRRBAXXPMPQNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrF2/c1-5(2)3-6(8,9)4-7/h5H,3-4H2,1-2H3.
What are the key properties of 1-bromo-2,2-difluoro-4-methylpentane?
1-bromo-2,2-difluoro-4-methylpentane has a molecular weight of 201.05 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,2-difluoro-4-methylpentane is sourced from PubChem (CID 115022141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).