1-chloro-3-(4-chloro-2-methylpentyl)-2-fluorobenzene

C12H15Cl2F — CID 102862274

IUPAC1-chloro-3-(4-chloro-2-methylpentyl)-2-fluorobenzene
SMILESCC(Cl)CC(C)Cc1cccc(Cl)c1F
InChIInChI=1S/C12H15Cl2F/c1-8(6-9(2)13)7-10-4-3-5-11(14)12(10)15/h3-5,8-9H,6-7H2,1-2H3
InChIKeyIIYJXKHDDURXQX-UHFFFAOYSA-N
MW249.16 g/mol
LogP4.68
Rot. Bonds4

About 1-chloro-3-(4-chloro-2-methylpentyl)-2-fluorobenzene

1-chloro-3-(4-chloro-2-methylpentyl)-2-fluorobenzene (PubChem CID 102862274) has the molecular formula C12H15Cl2F and a molecular weight of 249.16 g/mol. Its IUPAC name is 1-chloro-3-(4-chloro-2-methylpentyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-3-(4-chloro-2-methylpentyl)-2-fluorobenzene
PubChem CID102862274
Molecular FormulaC12H15Cl2F
Molecular Weight249.16 g/mol
Exact Mass248.05
IUPAC Name1-chloro-3-(4-chloro-2-methylpentyl)-2-fluorobenzene
SMILESCC(Cl)CC(C)Cc1cccc(Cl)c1F
InChIInChI=1S/C12H15Cl2F/c1-8(6-9(2)13)7-10-4-3-5-11(14)12(10)15/h3-5,8-9H,6-7H2,1-2H3
InChIKeyIIYJXKHDDURXQX-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.16
LogP ≤ 54.68
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-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene
CID 102863780
1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
CID 82802177
1-(3-chloro-2-fluorophenyl)-4,6-dimethylheptan-2-ol
CID 114200749
1-(3-chloro-2-fluorophenyl)-4-methylheptan-2-ol
CID 82801942
1-(3-bromo-2-methylbutyl)-3-chloro-2-fluorobenzene
CID 102858323
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
1-(3-chloro-2-fluorophenyl)butane-2,3-diol
CID 103452798
4-chloro-2-(4-chloro-2-methylpentyl)-1-fluorobenzene
CID 103050578
1-(3-chloro-2-fluorophenyl)-6-methylheptan-2-ol
CID 83160800
1-(3-chloro-2-fluorophenyl)hex-4-yn-2-ol
CID 82802719
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-chloro-2-methylpentyl)-2-fluorobenzene?
The IUPAC name of 1-chloro-3-(4-chloro-2-methylpentyl)-2-fluorobenzene (CID 102862274) is 1-chloro-3-(4-chloro-2-methylpentyl)-2-fluorobenzene.
What is the SMILES notation for 1-chloro-3-(4-chloro-2-methylpentyl)-2-fluorobenzene?
The canonical SMILES for 1-chloro-3-(4-chloro-2-methylpentyl)-2-fluorobenzene is CC(Cl)CC(C)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-chloro-3-(4-chloro-2-methylpentyl)-2-fluorobenzene?
The InChIKey is IIYJXKHDDURXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2F/c1-8(6-9(2)13)7-10-4-3-5-11(14)12(10)15/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 1-chloro-3-(4-chloro-2-methylpentyl)-2-fluorobenzene?
1-chloro-3-(4-chloro-2-methylpentyl)-2-fluorobenzene has a molecular weight of 249.16 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-chloro-2-methylpentyl)-2-fluorobenzene is sourced from PubChem (CID 102862274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).