1-chloro-4-[(E)-12-chloro-12,12-difluorododec-10-enoxy]benzene

C18H24Cl2F2O — CID 19915353

IUPAC1-chloro-4-[(E)-12-chloro-12,12-difluorododec-10-enoxy]benzene
SMILESFC(F)(Cl)/C=C/CCCCCCCCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H24Cl2F2O/c19-16-10-12-17(13-11-16)23-15-9-7-5-3-1-2-4-6-8-14-18(20,21)22/h8,10-14H,1-7,9,15H2/b14-8+
InChIKeyCQTUUEZOYAEENN-RIYZIHGNSA-N
MW365.29 g/mol
LogP7.23
Rot. Bonds12

About 1-chloro-4-[(E)-12-chloro-12,12-difluorododec-10-enoxy]benzene

1-chloro-4-[(E)-12-chloro-12,12-difluorododec-10-enoxy]benzene (PubChem CID 19915353) has the molecular formula C18H24Cl2F2O and a molecular weight of 365.29 g/mol. Its IUPAC name is 1-chloro-4-[(E)-12-chloro-12,12-difluorododec-10-enoxy]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-12-chloro-12,12-difluorododec-10-enoxy]benzene
PubChem CID19915353
Molecular FormulaC18H24Cl2F2O
Molecular Weight365.29 g/mol
Exact Mass364.12
IUPAC Name1-chloro-4-[(E)-12-chloro-12,12-difluorododec-10-enoxy]benzene
SMILESFC(F)(Cl)/C=C/CCCCCCCCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H24Cl2F2O/c19-16-10-12-17(13-11-16)23-15-9-7-5-3-1-2-4-6-8-14-18(20,21)22/h8,10-14H,1-7,9,15H2/b14-8+
InChIKeyCQTUUEZOYAEENN-RIYZIHGNSA-N
XLogP7.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.29
LogP ≤ 57.23
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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5-(4-chlorophenoxy)-N-methylpentan-1-amine
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5-(4-chlorophenoxy)-N-propylpentan-1-amine
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1-(10-bromodecoxy)-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene
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CID 127038670
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1-ethyl-4-oct-7-enoxybenzene
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-12-chloro-12,12-difluorododec-10-enoxy]benzene?
The IUPAC name of 1-chloro-4-[(E)-12-chloro-12,12-difluorododec-10-enoxy]benzene (CID 19915353) is 1-chloro-4-[(E)-12-chloro-12,12-difluorododec-10-enoxy]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-12-chloro-12,12-difluorododec-10-enoxy]benzene?
The canonical SMILES for 1-chloro-4-[(E)-12-chloro-12,12-difluorododec-10-enoxy]benzene is FC(F)(Cl)/C=C/CCCCCCCCCOc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(E)-12-chloro-12,12-difluorododec-10-enoxy]benzene?
The InChIKey is CQTUUEZOYAEENN-RIYZIHGNSA-N. The full InChI is InChI=1S/C18H24Cl2F2O/c19-16-10-12-17(13-11-16)23-15-9-7-5-3-1-2-4-6-8-14-18(20,21)22/h8,10-14H,1-7,9,15H2/b14-8+.
What are the key properties of 1-chloro-4-[(E)-12-chloro-12,12-difluorododec-10-enoxy]benzene?
1-chloro-4-[(E)-12-chloro-12,12-difluorododec-10-enoxy]benzene has a molecular weight of 365.29 g/mol, XLogP of 7.23, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-12-chloro-12,12-difluorododec-10-enoxy]benzene is sourced from PubChem (CID 19915353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).