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

C10H11Cl2F — CID 102862230

IUPAC1-chloro-3-(4-chlorobutyl)-2-fluorobenzene
SMILESFc1c(Cl)cccc1CCCCCl
InChIInChI=1S/C10H11Cl2F/c11-7-2-1-4-8-5-3-6-9(12)10(8)13/h3,5-6H,1-2,4,7H2
InChIKeyHUPGVCPQMOZTJA-UHFFFAOYSA-N
MW221.10 g/mol
LogP4.04
Rot. Bonds4

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

1-chloro-3-(4-chlorobutyl)-2-fluorobenzene (PubChem CID 102862230) has the molecular formula C10H11Cl2F and a molecular weight of 221.10 g/mol. Its IUPAC name is 1-chloro-3-(4-chlorobutyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-3-(4-chlorobutyl)-2-fluorobenzene
PubChem CID102862230
Molecular FormulaC10H11Cl2F
Molecular Weight221.10 g/mol
Exact Mass220.02
IUPAC Name1-chloro-3-(4-chlorobutyl)-2-fluorobenzene
SMILESFc1c(Cl)cccc1CCCCCl
InChIInChI=1S/C10H11Cl2F/c11-7-2-1-4-8-5-3-6-9(12)10(8)13/h3,5-6H,1-2,4,7H2
InChIKeyHUPGVCPQMOZTJA-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.10
LogP ≤ 54.04
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'}

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Related Compounds

1-chloro-3-(3-chloropropyl)-2-fluorobenzene
CID 53434110
3-(3-chloro-2-fluorophenyl)propan-1-amine
CID 53434310
1-chloro-2-(13-chlorotridecyl)benzene
CID 141077015
4-(3-chloro-2-fluorophenyl)butanal
CID 102861971
5-chloro-1-(3-chloro-2-fluorophenyl)pentan-2-one
CID 102857222
4-(3-chloro-2-fluorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 114489002
1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene
CID 116688904
3-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-N-propan-2-ylpropan-1-amine
CID 102859696
6-(3-chloro-2-fluorophenyl)-N-methylhexan-3-amine
CID 102862081
1-chloro-3-(3-chloropropyl)-2-(difluoromethoxy)benzene
CID 118802304
1-(bromomethyl)-3-chloro-2-fluorobenzene;bromozinc(1+);1-chloro-2-fluoro-3-methanidylbenzene
CID 159608290
2-chloro-N-[2-(3-chloro-2-fluorophenyl)ethyl]acetamide
CID 166409215

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-chlorobutyl)-2-fluorobenzene?
The IUPAC name of 1-chloro-3-(4-chlorobutyl)-2-fluorobenzene (CID 102862230) is 1-chloro-3-(4-chlorobutyl)-2-fluorobenzene.
What is the SMILES notation for 1-chloro-3-(4-chlorobutyl)-2-fluorobenzene?
The canonical SMILES for 1-chloro-3-(4-chlorobutyl)-2-fluorobenzene is Fc1c(Cl)cccc1CCCCCl.
What is the InChIKey of 1-chloro-3-(4-chlorobutyl)-2-fluorobenzene?
The InChIKey is HUPGVCPQMOZTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2F/c11-7-2-1-4-8-5-3-6-9(12)10(8)13/h3,5-6H,1-2,4,7H2.
What are the key properties of 1-chloro-3-(4-chlorobutyl)-2-fluorobenzene?
1-chloro-3-(4-chlorobutyl)-2-fluorobenzene has a molecular weight of 221.10 g/mol, XLogP of 4.04, 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-chlorobutyl)-2-fluorobenzene is sourced from PubChem (CID 102862230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).