1-chloro-4-(4-chloroheptyl)-2-fluorobenzene

C13H17Cl2F — CID 107888269

IUPAC1-chloro-4-(4-chloroheptyl)-2-fluorobenzene
SMILESCCCC(Cl)CCCc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H17Cl2F/c1-2-4-11(14)6-3-5-10-7-8-12(15)13(16)9-10/h7-9,11H,2-6H2,1H3
InChIKeyNNURGHSCJGSFFK-UHFFFAOYSA-N
MW263.18 g/mol
LogP5.21
Rot. Bonds6

About 1-chloro-4-(4-chloroheptyl)-2-fluorobenzene

1-chloro-4-(4-chloroheptyl)-2-fluorobenzene (PubChem CID 107888269) has the molecular formula C13H17Cl2F and a molecular weight of 263.18 g/mol. Its IUPAC name is 1-chloro-4-(4-chloroheptyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-4-(4-chloroheptyl)-2-fluorobenzene
PubChem CID107888269
Molecular FormulaC13H17Cl2F
Molecular Weight263.18 g/mol
Exact Mass262.07
IUPAC Name1-chloro-4-(4-chloroheptyl)-2-fluorobenzene
SMILESCCCC(Cl)CCCc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H17Cl2F/c1-2-4-11(14)6-3-5-10-7-8-12(15)13(16)9-10/h7-9,11H,2-6H2,1H3
InChIKeyNNURGHSCJGSFFK-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.18
LogP ≤ 55.21
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

1,2-dichloro-4-(4-chloroheptyl)benzene
CID 64516622
4-butyl-1-chloro-2-fluorobenzene
CID 20755408
2-chloro-4-(4-chlorohexyl)-1-fluorobenzene
CID 103041700
3-(4-chloro-3-fluorophenyl)-N-propylpropan-1-amine
CID 107886749
2-chloro-1-(4-chloroheptyl)-4-fluorobenzene
CID 64516631
4-(3-chlorohexyl)-2-fluoro-1-methoxybenzene
CID 63460549
4-(4-chloro-3-fluorophenyl)-1-phenylbutan-1-ol
CID 107888245
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
1-(4-chloroheptyl)-2-fluorobenzene
CID 64513555
2-[(4-chloro-3-fluorophenyl)methyl]pentan-1-ol
CID 107894917
1-chloro-4-ethyl-2-fluorobenzene;ethane
CID 143692245
N-[(4-chloro-3-fluorophenyl)methyl]hexan-3-amine
CID 62118933

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-chloroheptyl)-2-fluorobenzene?
The IUPAC name of 1-chloro-4-(4-chloroheptyl)-2-fluorobenzene (CID 107888269) is 1-chloro-4-(4-chloroheptyl)-2-fluorobenzene.
What is the SMILES notation for 1-chloro-4-(4-chloroheptyl)-2-fluorobenzene?
The canonical SMILES for 1-chloro-4-(4-chloroheptyl)-2-fluorobenzene is CCCC(Cl)CCCc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-chloro-4-(4-chloroheptyl)-2-fluorobenzene?
The InChIKey is NNURGHSCJGSFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2F/c1-2-4-11(14)6-3-5-10-7-8-12(15)13(16)9-10/h7-9,11H,2-6H2,1H3.
What are the key properties of 1-chloro-4-(4-chloroheptyl)-2-fluorobenzene?
1-chloro-4-(4-chloroheptyl)-2-fluorobenzene has a molecular weight of 263.18 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-chloroheptyl)-2-fluorobenzene is sourced from PubChem (CID 107888269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).