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

C11H13BrClF — CID 82973422

IUPAC4-bromo-2-(3-chloropentan-2-yl)-1-fluorobenzene
SMILESCCC(Cl)C(C)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrClF/c1-3-10(13)7(2)9-6-8(12)4-5-11(9)14/h4-7,10H,3H2,1-2H3
InChIKeyUIVFJPIGEVHDMQ-UHFFFAOYSA-N
MW279.58 g/mol
LogP4.71
Rot. Bonds3

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

4-bromo-2-(3-chloropentan-2-yl)-1-fluorobenzene (PubChem CID 82973422) has the molecular formula C11H13BrClF and a molecular weight of 279.58 g/mol. Its IUPAC name is 4-bromo-2-(3-chloropentan-2-yl)-1-fluorobenzene.

Molecular Properties

Compound Name4-bromo-2-(3-chloropentan-2-yl)-1-fluorobenzene
PubChem CID82973422
Molecular FormulaC11H13BrClF
Molecular Weight279.58 g/mol
Exact Mass277.99
IUPAC Name4-bromo-2-(3-chloropentan-2-yl)-1-fluorobenzene
SMILESCCC(Cl)C(C)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrClF/c1-3-10(13)7(2)9-6-8(12)4-5-11(9)14/h4-7,10H,3H2,1-2H3
InChIKeyUIVFJPIGEVHDMQ-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.58
LogP ≤ 54.71
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-2-(3-chlorohexan-2-yl)-1-fluorobenzene
CID 83051666
1-(5-bromo-2-fluorophenyl)-2-methylbutan-1-amine
CID 79742752
2-(5-bromo-2-fluorophenyl)propan-1-ol
CID 82972861
4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161
5-(5-bromo-2-fluorophenyl)heptane-2,3-diol
CID 83933935
2-(5-bromo-2-fluorophenyl)pentan-3-one
CID 82973911
1-(5-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001576
4-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1-fluorobenzene
CID 63430619
3-(5-bromo-2-fluorophenyl)butane-1-thiol
CID 83933838
2-(5-bromo-2-fluorophenyl)-N-methylpropan-1-amine
CID 82974107
1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 114894764
1-(5-bromo-2-fluorophenyl)-2-ethoxypropan-1-amine
CID 79743200

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-chloropentan-2-yl)-1-fluorobenzene?
The IUPAC name of 4-bromo-2-(3-chloropentan-2-yl)-1-fluorobenzene (CID 82973422) is 4-bromo-2-(3-chloropentan-2-yl)-1-fluorobenzene.
What is the SMILES notation for 4-bromo-2-(3-chloropentan-2-yl)-1-fluorobenzene?
The canonical SMILES for 4-bromo-2-(3-chloropentan-2-yl)-1-fluorobenzene is CCC(Cl)C(C)c1cc(Br)ccc1F.
What is the InChIKey of 4-bromo-2-(3-chloropentan-2-yl)-1-fluorobenzene?
The InChIKey is UIVFJPIGEVHDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClF/c1-3-10(13)7(2)9-6-8(12)4-5-11(9)14/h4-7,10H,3H2,1-2H3.
What are the key properties of 4-bromo-2-(3-chloropentan-2-yl)-1-fluorobenzene?
4-bromo-2-(3-chloropentan-2-yl)-1-fluorobenzene has a molecular weight of 279.58 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-chloropentan-2-yl)-1-fluorobenzene is sourced from PubChem (CID 82973422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).