1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene

C11H14BrF — CID 79018716

IUPAC1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene
SMILESCC(C)C(CBr)c1ccc(F)cc1
InChIInChI=1S/C11H14BrF/c1-8(2)11(7-12)9-3-5-10(13)6-4-9/h3-6,8,11H,7H2,1-2H3
InChIKeyFBZXEIILGGVOKE-UHFFFAOYSA-N
MW245.13 g/mol
LogP3.96
Rot. Bonds3

About 1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene

1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene (PubChem CID 79018716) has the molecular formula C11H14BrF and a molecular weight of 245.13 g/mol. Its IUPAC name is 1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene
PubChem CID79018716
Molecular FormulaC11H14BrF
Molecular Weight245.13 g/mol
Exact Mass244.03
IUPAC Name1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene
SMILESCC(C)C(CBr)c1ccc(F)cc1
InChIInChI=1S/C11H14BrF/c1-8(2)11(7-12)9-3-5-10(13)6-4-9/h3-6,8,11H,7H2,1-2H3
InChIKeyFBZXEIILGGVOKE-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 53.96
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

1-(4-bromopentan-2-yl)-4-fluorobenzene
CID 64721249
2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine
CID 82089305
1-fluoro-4-(2-methylheptan-3-yl)benzene
CID 57227852
1-butan-2-yl-4-fluorobenzene
CID 11829648
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
3-(4-fluorophenyl)pentan-2-amine
CID 66437850
ethane;1-fluoro-4-(1-methoxypropan-2-yl)benzene
CID 143926197
1-[2-(bromomethyl)-3-methylbutyl]-4-fluorobenzene
CID 66041241
(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride
CID 170910887
N-ethyl-4-(4-fluorophenyl)-2-methylhexan-3-amine
CID 79298629
1-fluoro-4-propan-2-ylbenzene;2-methylpropane
CID 177367696
1-(1-bromo-3-methylbutan-2-yl)-3-methylbenzene
CID 79019345

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene?
The IUPAC name of 1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene (CID 79018716) is 1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene.
What is the SMILES notation for 1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene?
The canonical SMILES for 1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene is CC(C)C(CBr)c1ccc(F)cc1.
What is the InChIKey of 1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene?
The InChIKey is FBZXEIILGGVOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF/c1-8(2)11(7-12)9-3-5-10(13)6-4-9/h3-6,8,11H,7H2,1-2H3.
What are the key properties of 1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene?
1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene has a molecular weight of 245.13 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene is sourced from PubChem (CID 79018716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).