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

C10H11Cl2F — CID 105395959

IUPAC1-chloro-2-(3-chlorobutyl)-4-fluorobenzene
SMILESCC(Cl)CCc1cc(F)ccc1Cl
InChIInChI=1S/C10H11Cl2F/c1-7(11)2-3-8-6-9(13)4-5-10(8)12/h4-7H,2-3H2,1H3
InChIKeyCTWSCLFRLACRJW-UHFFFAOYSA-N
MW221.10 g/mol
LogP4.04
Rot. Bonds3

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

1-chloro-2-(3-chlorobutyl)-4-fluorobenzene (PubChem CID 105395959) has the molecular formula C10H11Cl2F and a molecular weight of 221.10 g/mol. Its IUPAC name is 1-chloro-2-(3-chlorobutyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-(3-chlorobutyl)-4-fluorobenzene
PubChem CID105395959
Molecular FormulaC10H11Cl2F
Molecular Weight221.10 g/mol
Exact Mass220.02
IUPAC Name1-chloro-2-(3-chlorobutyl)-4-fluorobenzene
SMILESCC(Cl)CCc1cc(F)ccc1Cl
InChIInChI=1S/C10H11Cl2F/c1-7(11)2-3-8-6-9(13)4-5-10(8)12/h4-7H,2-3H2,1H3
InChIKeyCTWSCLFRLACRJW-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 102620150
1-(2-chloro-5-fluorophenyl)-N-methylpentan-3-amine
CID 105395903
N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine
CID 102620479
6-(2-chloro-5-fluorophenyl)-2-methylhexan-3-amine
CID 102620442
1-chloro-2-(4-chloro-2,2-dimethylpentyl)-4-fluorobenzene
CID 102620544
2-(4-bromohexyl)-1-chloro-4-fluorobenzene
CID 102620535
4-(2-chloro-5-fluorophenyl)-N-propan-2-ylbutan-1-amine
CID 102620448
1,4-dichloro-2-(4-chloropentyl)benzene
CID 65316185
2-(4-bromo-5,5-dimethylhexyl)-1-chloro-4-fluorobenzene
CID 102620538
3-(2-chloro-5-fluorophenyl)-1-cyclopentylpropan-1-amine
CID 102616772
1-chloro-2-(4-chlorobutan-2-ylsulfanylmethyl)-4-fluorobenzene
CID 102622034
1-[2-(2-chloro-5-fluorophenyl)ethyl]piperazine
CID 82622203

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(3-chlorobutyl)-4-fluorobenzene?
The IUPAC name of 1-chloro-2-(3-chlorobutyl)-4-fluorobenzene (CID 105395959) is 1-chloro-2-(3-chlorobutyl)-4-fluorobenzene.
What is the SMILES notation for 1-chloro-2-(3-chlorobutyl)-4-fluorobenzene?
The canonical SMILES for 1-chloro-2-(3-chlorobutyl)-4-fluorobenzene is CC(Cl)CCc1cc(F)ccc1Cl.
What is the InChIKey of 1-chloro-2-(3-chlorobutyl)-4-fluorobenzene?
The InChIKey is CTWSCLFRLACRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2F/c1-7(11)2-3-8-6-9(13)4-5-10(8)12/h4-7H,2-3H2,1H3.
What are the key properties of 1-chloro-2-(3-chlorobutyl)-4-fluorobenzene?
1-chloro-2-(3-chlorobutyl)-4-fluorobenzene has a molecular weight of 221.10 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(3-chlorobutyl)-4-fluorobenzene is sourced from PubChem (CID 105395959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).