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

C10H11Cl2FO — CID 116688904

IUPAC1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene
SMILESFc1c(Cl)cccc1OCCCCCl
InChIInChI=1S/C10H11Cl2FO/c11-6-1-2-7-14-9-5-3-4-8(12)10(9)13/h3-5H,1-2,6-7H2
InChIKeyCCRLOSIEDZSXBN-UHFFFAOYSA-N
MW237.10 g/mol
LogP3.88
Rot. Bonds5

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

1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene (PubChem CID 116688904) has the molecular formula C10H11Cl2FO and a molecular weight of 237.10 g/mol. Its IUPAC name is 1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene
PubChem CID116688904
Molecular FormulaC10H11Cl2FO
Molecular Weight237.10 g/mol
Exact Mass236.02
IUPAC Name1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene
SMILESFc1c(Cl)cccc1OCCCCCl
InChIInChI=1S/C10H11Cl2FO/c11-6-1-2-7-14-9-5-3-4-8(12)10(9)13/h3-5H,1-2,6-7H2
InChIKeyCCRLOSIEDZSXBN-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-2-fluoro-3-propoxybenzene
CID 125116301
5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine
CID 116690269
3-(3-chloro-2-fluorophenoxy)-N-methylpropan-1-amine
CID 116689634
5-(3-chloro-2-fluorophenoxy)pentanimidamide
CID 116689239
N-[4-(3-chloro-2-fluorophenoxy)butyl]cyclopropanamine
CID 116690398
2-[2-(3-chloro-2-fluorophenoxy)ethoxy]ethanol
CID 116689707
6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine
CID 116690384
N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine
CID 116690537
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
1-chloro-3-(4-chlorobutyl)-2-fluorobenzene
CID 102862230
potassium (3-chloro-2-fluorophenoxy)methyl-trifluoroboranuide
CID 116690712
1,3-dichloro-2-(6-chlorohexoxy)benzene
CID 63499301

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene?
The IUPAC name of 1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene (CID 116688904) is 1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene.
What is the SMILES notation for 1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene?
The canonical SMILES for 1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene is Fc1c(Cl)cccc1OCCCCCl.
What is the InChIKey of 1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene?
The InChIKey is CCRLOSIEDZSXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2FO/c11-6-1-2-7-14-9-5-3-4-8(12)10(9)13/h3-5H,1-2,6-7H2.
What are the key properties of 1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene?
1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene has a molecular weight of 237.10 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene is sourced from PubChem (CID 116688904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).