5-Bromo-1,1,2,2-tetrafluoro-4-methylpentane

C6H9BrF4 — CID 131228851

IUPAC5-bromo-1,1,2,2-tetrafluoro-4-methylpentane
SMILESCC(CC(C(F)F)(F)F)CBr
InChIInChI=1S/C6H9BrF4/c1-4(3-7)2-6(10,11)5(8)9/h4-5H,2-3H2,1H3
InChIKeyTUEWYLKKEXQKMA-UHFFFAOYSA-N
MW237.03 g/mol
LogP3.70
Rot. Bonds4

About 5-Bromo-1,1,2,2-tetrafluoro-4-methylpentane

5-Bromo-1,1,2,2-tetrafluoro-4-methylpentane (PubChem CID 131228851) has the molecular formula C6H9BrF4 and a molecular weight of 237.03 g/mol. Its IUPAC name is 5-bromo-1,1,2,2-tetrafluoro-4-methylpentane.

Molecular Properties

Compound Name5-Bromo-1,1,2,2-tetrafluoro-4-methylpentane
PubChem CID131228851
Molecular FormulaC6H9BrF4
Molecular Weight237.03 g/mol
Exact Mass235.98
IUPAC Name5-bromo-1,1,2,2-tetrafluoro-4-methylpentane
SMILESCC(CC(C(F)F)(F)F)CBr
InChIInChI=1S/C6H9BrF4/c1-4(3-7)2-6(10,11)5(8)9/h4-5H,2-3H2,1H3
InChIKeyTUEWYLKKEXQKMA-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity115

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.03
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Bromo-1,1,1-trifluoro-3-methylbutane
CID 2725044
4-Bromo-1,1,1-trifluoro-2-methylbutane
CID 19895484
1-Bromo-3,3-difluoro-2-methylbutane
CID 130731283
4-Bromo-1,1-difluoro-3-methylbutane
CID 84660820
4-Bromo-1,1-difluoro-2-methylbutane
CID 84660821
3-(Bromomethyl)-1,1,1-trifluoropentane
CID 121208211
3-(Bromomethyl)-1,1-difluoropentane
CID 122164154
1-Bromo-3,3-difluoro-4-methylpentane
CID 131616396
1-Bromo-2-fluoro-4-methylpentane
CID 15321911
1,3-Dibromo-1,1-difluoro-4-methylpentane
CID 23459297
1-Bromo-1,2,2-trifluoro-3-methylbutane
CID 58422599
5-Bromo-1,1,1-trifluoro-2-(fluoromethyl)-4-iodopentane
CID 58901171

Frequently Asked Questions

What is the IUPAC name of 5-Bromo-1,1,2,2-tetrafluoro-4-methylpentane?
The IUPAC name of 5-Bromo-1,1,2,2-tetrafluoro-4-methylpentane (CID 131228851) is 5-bromo-1,1,2,2-tetrafluoro-4-methylpentane.
What is the SMILES notation for 5-Bromo-1,1,2,2-tetrafluoro-4-methylpentane?
The canonical SMILES for 5-Bromo-1,1,2,2-tetrafluoro-4-methylpentane is CC(CC(C(F)F)(F)F)CBr.
What is the InChIKey of 5-Bromo-1,1,2,2-tetrafluoro-4-methylpentane?
The InChIKey is TUEWYLKKEXQKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrF4/c1-4(3-7)2-6(10,11)5(8)9/h4-5H,2-3H2,1H3.
What are the key properties of 5-Bromo-1,1,2,2-tetrafluoro-4-methylpentane?
5-Bromo-1,1,2,2-tetrafluoro-4-methylpentane has a molecular weight of 237.03 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Bromo-1,1,2,2-tetrafluoro-4-methylpentane is sourced from PubChem (CID 131228851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).