5-bromo-1,1,1-trifluoro-4-methylpentane

C6H10BrF3 — CID 130872181

IUPAC5-bromo-1,1,1-trifluoro-4-methylpentane
SMILESCC(CBr)CCC(F)(F)F
InChIInChI=1S/C6H10BrF3/c1-5(4-7)2-3-6(8,9)10/h5H,2-4H2,1H3
InChIKeyBFVNFXULLWIGCA-UHFFFAOYSA-N
MW219.04 g/mol
LogP3.36
Rot. Bonds3

About 5-bromo-1,1,1-trifluoro-4-methylpentane

5-bromo-1,1,1-trifluoro-4-methylpentane (PubChem CID 130872181) has the molecular formula C6H10BrF3 and a molecular weight of 219.04 g/mol. Its IUPAC name is 5-bromo-1,1,1-trifluoro-4-methylpentane.

Molecular Properties

Compound Name5-bromo-1,1,1-trifluoro-4-methylpentane
PubChem CID130872181
Molecular FormulaC6H10BrF3
Molecular Weight219.04 g/mol
Exact Mass217.99
IUPAC Name5-bromo-1,1,1-trifluoro-4-methylpentane
SMILESCC(CBr)CCC(F)(F)F
InChIInChI=1S/C6H10BrF3/c1-5(4-7)2-3-6(8,9)10/h5H,2-4H2,1H3
InChIKeyBFVNFXULLWIGCA-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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
2-Bromo-1,1,1-trifluoro-3-methylbutane
CID 56604433
1-Bromo-3,3-difluoro-2-methylbutane
CID 130731283
1-Bromo-4-fluoro-4-methylpentane
CID 19966831
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-(Bromomethyl)-3-(trifluoromethyl)cyclobutane
CID 138040589
CID 178200040
CID 178200040

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,1,1-trifluoro-4-methylpentane?
The IUPAC name of 5-bromo-1,1,1-trifluoro-4-methylpentane (CID 130872181) is 5-bromo-1,1,1-trifluoro-4-methylpentane.
What is the SMILES notation for 5-bromo-1,1,1-trifluoro-4-methylpentane?
The canonical SMILES for 5-bromo-1,1,1-trifluoro-4-methylpentane is CC(CBr)CCC(F)(F)F.
What is the InChIKey of 5-bromo-1,1,1-trifluoro-4-methylpentane?
The InChIKey is BFVNFXULLWIGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrF3/c1-5(4-7)2-3-6(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 5-bromo-1,1,1-trifluoro-4-methylpentane?
5-bromo-1,1,1-trifluoro-4-methylpentane has a molecular weight of 219.04 g/mol, XLogP of 3.36, 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-trifluoro-4-methylpentane is sourced from PubChem (CID 130872181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).