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

C11H13Cl2F — CID 103040835

IUPAC2-chloro-4-(3-chloropentyl)-1-fluorobenzene
SMILESCCC(Cl)CCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13Cl2F/c1-2-9(12)5-3-8-4-6-11(14)10(13)7-8/h4,6-7,9H,2-3,5H2,1H3
InChIKeyZBPHWHGECWGQIO-UHFFFAOYSA-N
MW235.13 g/mol
LogP4.43
Rot. Bonds4

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

2-chloro-4-(3-chloropentyl)-1-fluorobenzene (PubChem CID 103040835) has the molecular formula C11H13Cl2F and a molecular weight of 235.13 g/mol. Its IUPAC name is 2-chloro-4-(3-chloropentyl)-1-fluorobenzene.

Molecular Properties

Compound Name2-chloro-4-(3-chloropentyl)-1-fluorobenzene
PubChem CID103040835
Molecular FormulaC11H13Cl2F
Molecular Weight235.13 g/mol
Exact Mass234.04
IUPAC Name2-chloro-4-(3-chloropentyl)-1-fluorobenzene
SMILESCCC(Cl)CCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13Cl2F/c1-2-9(12)5-3-8-4-6-11(14)10(13)7-8/h4,6-7,9H,2-3,5H2,1H3
InChIKeyZBPHWHGECWGQIO-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.13
LogP ≤ 54.43
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

2-chloro-4-(4-chlorohexyl)-1-fluorobenzene
CID 103041700
4-(4-bromo-3-methylbutyl)-2-chloro-1-fluorobenzene
CID 103041716
1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957
N-[(3-chloro-4-fluorophenyl)methyl]-4-phenylbutan-2-amine
CID 63476474
N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-methylpropanamide
CID 110790499
4-(3-chloro-4-fluorophenyl)-2-phenylbutan-1-amine
CID 103042297
1-(3-chloro-4-fluorophenyl)pentan-2-amine
CID 103039784
4-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol
CID 82471704
1-(3-chloro-4-fluorophenyl)-3-ethylpentan-2-one
CID 103042772
N-[(3-chloro-4-fluorophenyl)methyl]-2-ethylbutan-1-amine
CID 62537604
N-[(3-chloro-4-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62538415
2-chloro-1-fluoro-4-(fluoromethyl)benzene
CID 84651474

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chloropentyl)-1-fluorobenzene?
The IUPAC name of 2-chloro-4-(3-chloropentyl)-1-fluorobenzene (CID 103040835) is 2-chloro-4-(3-chloropentyl)-1-fluorobenzene.
What is the SMILES notation for 2-chloro-4-(3-chloropentyl)-1-fluorobenzene?
The canonical SMILES for 2-chloro-4-(3-chloropentyl)-1-fluorobenzene is CCC(Cl)CCc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(3-chloropentyl)-1-fluorobenzene?
The InChIKey is ZBPHWHGECWGQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2F/c1-2-9(12)5-3-8-4-6-11(14)10(13)7-8/h4,6-7,9H,2-3,5H2,1H3.
What are the key properties of 2-chloro-4-(3-chloropentyl)-1-fluorobenzene?
2-chloro-4-(3-chloropentyl)-1-fluorobenzene has a molecular weight of 235.13 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chloropentyl)-1-fluorobenzene is sourced from PubChem (CID 103040835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).