1-chloro-3-fluoro-2-[(E)-2-phenylethenyl]benzene

C14H10ClF — CID 162694789

IUPAC1-chloro-3-fluoro-2-[(E)-2-phenylethenyl]benzene
SMILESFc1cccc(Cl)c1/C=C/c1ccccc1
InChIInChI=1S/C14H10ClF/c15-13-7-4-8-14(16)12(13)10-9-11-5-2-1-3-6-11/h1-10H/b10-9+
InChIKeyOUISULYNUMGIGQ-MDZDMXLPSA-N
MW232.69 g/mol
LogP4.65
Rot. Bonds2

About 1-chloro-3-fluoro-2-[(E)-2-phenylethenyl]benzene

1-chloro-3-fluoro-2-[(E)-2-phenylethenyl]benzene (PubChem CID 162694789) has the molecular formula C14H10ClF and a molecular weight of 232.69 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-[(E)-2-phenylethenyl]benzene
PubChem CID162694789
Molecular FormulaC14H10ClF
Molecular Weight232.69 g/mol
Exact Mass232.05
IUPAC Name1-chloro-3-fluoro-2-[(E)-2-phenylethenyl]benzene
SMILESFc1cccc(Cl)c1/C=C/c1ccccc1
InChIInChI=1S/C14H10ClF/c15-13-7-4-8-14(16)12(13)10-9-11-5-2-1-3-6-11/h1-10H/b10-9+
InChIKeyOUISULYNUMGIGQ-MDZDMXLPSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 54.65
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-3-fluoro-2-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 1-chloro-3-fluoro-2-[(E)-2-phenylethenyl]benzene (CID 162694789) is 1-chloro-3-fluoro-2-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1-chloro-3-fluoro-2-[(E)-2-phenylethenyl]benzene is Fc1cccc(Cl)c1/C=C/c1ccccc1.
What is the InChIKey of 1-chloro-3-fluoro-2-[(E)-2-phenylethenyl]benzene?
The InChIKey is OUISULYNUMGIGQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H10ClF/c15-13-7-4-8-14(16)12(13)10-9-11-5-2-1-3-6-11/h1-10H/b10-9+.
What are the key properties of 1-chloro-3-fluoro-2-[(E)-2-phenylethenyl]benzene?
1-chloro-3-fluoro-2-[(E)-2-phenylethenyl]benzene has a molecular weight of 232.69 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 162694789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).