1-chloro-3-(3-chloropropoxy)propane;fluorobenzene

C12H17Cl2FO — CID 73011380

IUPAC1-chloro-3-(3-chloropropoxy)propane;fluorobenzene
SMILESClCCCOCCCCl.Fc1ccccc1
InChIInChI=1S/C6H12Cl2O.C6H5F/c7-3-1-5-9-6-2-4-8;7-6-4-2-1-3-5-6/h1-6H2;1-5H
InChIKeyDNASHAQMYPRXTG-UHFFFAOYSA-N
MW267.17 g/mol
LogP4.09
Rot. Bonds6

About 1-chloro-3-(3-chloropropoxy)propane;fluorobenzene

1-chloro-3-(3-chloropropoxy)propane;fluorobenzene (PubChem CID 73011380) has the molecular formula C12H17Cl2FO and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-chloro-3-(3-chloropropoxy)propane;fluorobenzene.

Molecular Properties

Compound Name1-chloro-3-(3-chloropropoxy)propane;fluorobenzene
PubChem CID73011380
Molecular FormulaC12H17Cl2FO
Molecular Weight267.17 g/mol
Exact Mass266.06
IUPAC Name1-chloro-3-(3-chloropropoxy)propane;fluorobenzene
SMILESClCCCOCCCCl.Fc1ccccc1
InChIInChI=1S/C6H12Cl2O.C6H5F/c7-3-1-5-9-6-2-4-8;7-6-4-2-1-3-5-6/h1-6H2;1-5H
InChIKeyDNASHAQMYPRXTG-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 54.09
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-chloropropoxy)propane;fluorobenzene?
The IUPAC name of 1-chloro-3-(3-chloropropoxy)propane;fluorobenzene (CID 73011380) is 1-chloro-3-(3-chloropropoxy)propane;fluorobenzene.
What is the SMILES notation for 1-chloro-3-(3-chloropropoxy)propane;fluorobenzene?
The canonical SMILES for 1-chloro-3-(3-chloropropoxy)propane;fluorobenzene is ClCCCOCCCCl.Fc1ccccc1.
What is the InChIKey of 1-chloro-3-(3-chloropropoxy)propane;fluorobenzene?
The InChIKey is DNASHAQMYPRXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2O.C6H5F/c7-3-1-5-9-6-2-4-8;7-6-4-2-1-3-5-6/h1-6H2;1-5H.
What are the key properties of 1-chloro-3-(3-chloropropoxy)propane;fluorobenzene?
1-chloro-3-(3-chloropropoxy)propane;fluorobenzene has a molecular weight of 267.17 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-chloropropoxy)propane;fluorobenzene is sourced from PubChem (CID 73011380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).