1-bromo-4-(1-fluoro-2-methylpropan-2-yl)benzene

C10H12BrF — CID 86730298

IUPAC1-bromo-4-(1-fluoro-2-methylpropan-2-yl)benzene
SMILESCC(C)(CF)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrF/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
InChIKeyLTWSXLBQJSVAGN-UHFFFAOYSA-N
MW231.11 g/mol
LogP3.70
Rot. Bonds2

About 1-bromo-4-(1-fluoro-2-methylpropan-2-yl)benzene

1-bromo-4-(1-fluoro-2-methylpropan-2-yl)benzene (PubChem CID 86730298) has the molecular formula C10H12BrF and a molecular weight of 231.11 g/mol. Its IUPAC name is 1-bromo-4-(1-fluoro-2-methylpropan-2-yl)benzene.

Molecular Properties

Compound Name1-bromo-4-(1-fluoro-2-methylpropan-2-yl)benzene
PubChem CID86730298
Molecular FormulaC10H12BrF
Molecular Weight231.11 g/mol
Exact Mass230.01
IUPAC Name1-bromo-4-(1-fluoro-2-methylpropan-2-yl)benzene
SMILESCC(C)(CF)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrF/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
InChIKeyLTWSXLBQJSVAGN-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(1-fluoro-2-methylpropan-2-yl)benzaldehyde
CID 105438723
5-(4-bromophenyl)-5-methylhexan-2-one
CID 153037785
2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol
CID 21396520
3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine
CID 79829851
2-(4-bromophenyl)propane-2-thiol
CID 21489042
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444
2-[[2-(4-bromophenyl)-2-methylpropyl]amino]ethanethiol
CID 115224463
1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694
2-(4-bromophenyl)propan-2-amine;hydroiodide
CID 163210830
3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol
CID 115135576
1-bromo-4-(1,1-dimethoxyethyl)benzene
CID 10911782

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1-fluoro-2-methylpropan-2-yl)benzene?
The IUPAC name of 1-bromo-4-(1-fluoro-2-methylpropan-2-yl)benzene (CID 86730298) is 1-bromo-4-(1-fluoro-2-methylpropan-2-yl)benzene.
What is the SMILES notation for 1-bromo-4-(1-fluoro-2-methylpropan-2-yl)benzene?
The canonical SMILES for 1-bromo-4-(1-fluoro-2-methylpropan-2-yl)benzene is CC(C)(CF)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(1-fluoro-2-methylpropan-2-yl)benzene?
The InChIKey is LTWSXLBQJSVAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of 1-bromo-4-(1-fluoro-2-methylpropan-2-yl)benzene?
1-bromo-4-(1-fluoro-2-methylpropan-2-yl)benzene has a molecular weight of 231.11 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1-fluoro-2-methylpropan-2-yl)benzene is sourced from PubChem (CID 86730298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).