1-chloro-2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3-fluorobenzene

C16H14ClF — CID 144958510

IUPAC1-chloro-2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3-fluorobenzene
SMILESCc1ccc(/C=C/c2c(F)cccc2Cl)cc1C
InChIInChI=1S/C16H14ClF/c1-11-6-7-13(10-12(11)2)8-9-14-15(17)4-3-5-16(14)18/h3-10H,1-2H3/b9-8+
InChIKeyOCKBOGCQIYSQLC-CMDGGOBGSA-N
MW260.74 g/mol
LogP5.27
Rot. Bonds2

About 1-chloro-2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3-fluorobenzene

1-chloro-2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3-fluorobenzene (PubChem CID 144958510) has the molecular formula C16H14ClF and a molecular weight of 260.74 g/mol. Its IUPAC name is 1-chloro-2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3-fluorobenzene
PubChem CID144958510
Molecular FormulaC16H14ClF
Molecular Weight260.74 g/mol
Exact Mass260.08
IUPAC Name1-chloro-2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3-fluorobenzene
SMILESCc1ccc(/C=C/c2c(F)cccc2Cl)cc1C
InChIInChI=1S/C16H14ClF/c1-11-6-7-13(10-12(11)2)8-9-14-15(17)4-3-5-16(14)18/h3-10H,1-2H3/b9-8+
InChIKeyOCKBOGCQIYSQLC-CMDGGOBGSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.74
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3-fluorobenzene?
The IUPAC name of 1-chloro-2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3-fluorobenzene (CID 144958510) is 1-chloro-2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3-fluorobenzene.
What is the SMILES notation for 1-chloro-2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3-fluorobenzene?
The canonical SMILES for 1-chloro-2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3-fluorobenzene is Cc1ccc(/C=C/c2c(F)cccc2Cl)cc1C.
What is the InChIKey of 1-chloro-2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3-fluorobenzene?
The InChIKey is OCKBOGCQIYSQLC-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H14ClF/c1-11-6-7-13(10-12(11)2)8-9-14-15(17)4-3-5-16(14)18/h3-10H,1-2H3/b9-8+.
What are the key properties of 1-chloro-2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3-fluorobenzene?
1-chloro-2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3-fluorobenzene has a molecular weight of 260.74 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-3-fluorobenzene is sourced from PubChem (CID 144958510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).