1-chloro-2-(1-chlorooctyl)-4,5-difluorobenzene

C14H18Cl2F2 — CID 107477246

IUPAC1-chloro-2-(1-chlorooctyl)-4,5-difluorobenzene
SMILESCCCCCCCC(Cl)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H18Cl2F2/c1-2-3-4-5-6-7-11(15)10-8-13(17)14(18)9-12(10)16/h8-9,11H,2-7H2,1H3
InChIKeyLUBVKXDFIIIKBB-UHFFFAOYSA-N
MW295.20 g/mol
LogP6.26
Rot. Bonds7

About 1-chloro-2-(1-chlorooctyl)-4,5-difluorobenzene

1-chloro-2-(1-chlorooctyl)-4,5-difluorobenzene (PubChem CID 107477246) has the molecular formula C14H18Cl2F2 and a molecular weight of 295.20 g/mol. Its IUPAC name is 1-chloro-2-(1-chlorooctyl)-4,5-difluorobenzene.

Molecular Properties

Compound Name1-chloro-2-(1-chlorooctyl)-4,5-difluorobenzene
PubChem CID107477246
Molecular FormulaC14H18Cl2F2
Molecular Weight295.20 g/mol
Exact Mass294.08
IUPAC Name1-chloro-2-(1-chlorooctyl)-4,5-difluorobenzene
SMILESCCCCCCCC(Cl)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H18Cl2F2/c1-2-3-4-5-6-7-11(15)10-8-13(17)14(18)9-12(10)16/h8-9,11H,2-7H2,1H3
InChIKeyLUBVKXDFIIIKBB-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.20
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,4-dichloro-2-(1-chlorooctyl)benzene
CID 63436691
1-(4-chloro-2,5-difluorophenyl)-N-ethylhexan-1-amine
CID 115837042
1-chloro-2-(1-chloro-3-cyclopentylpropyl)-4,5-difluorobenzene
CID 107477301
1-chloro-4-(1-chlorooctyl)benzene
CID 63429176
5-(1-chlorononyl)-2-fluoro-1,3-dimethylbenzene
CID 65427553
6-chloro-5-(1-chlorohexyl)-1,3-dihydroindol-2-one
CID 61083654
2-bromo-4-(1-chloroheptyl)-1-fluorobenzene
CID 114753675
1-(2-chloro-4,5-difluorophenyl)-N-propylbutan-1-amine
CID 107476598
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]octan-1-amine
CID 115566984
1-(2-chloro-4,5-difluorophenyl)propan-1-amine
CID 103693409
N-ethyl-1-(2,4,5-trifluorophenyl)heptan-1-amine
CID 103302611
1-(1-bromodecyl)-2,4-dichlorobenzene
CID 65427160

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(1-chlorooctyl)-4,5-difluorobenzene?
The IUPAC name of 1-chloro-2-(1-chlorooctyl)-4,5-difluorobenzene (CID 107477246) is 1-chloro-2-(1-chlorooctyl)-4,5-difluorobenzene.
What is the SMILES notation for 1-chloro-2-(1-chlorooctyl)-4,5-difluorobenzene?
The canonical SMILES for 1-chloro-2-(1-chlorooctyl)-4,5-difluorobenzene is CCCCCCCC(Cl)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 1-chloro-2-(1-chlorooctyl)-4,5-difluorobenzene?
The InChIKey is LUBVKXDFIIIKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2F2/c1-2-3-4-5-6-7-11(15)10-8-13(17)14(18)9-12(10)16/h8-9,11H,2-7H2,1H3.
What are the key properties of 1-chloro-2-(1-chlorooctyl)-4,5-difluorobenzene?
1-chloro-2-(1-chlorooctyl)-4,5-difluorobenzene has a molecular weight of 295.20 g/mol, XLogP of 6.26, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(1-chlorooctyl)-4,5-difluorobenzene is sourced from PubChem (CID 107477246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).