1-(4-chloro-2-phenylbut-1-enyl)-4-fluorobenzene

C16H14ClF — CID 152586200

IUPAC1-(4-chloro-2-phenylbut-1-enyl)-4-fluorobenzene
SMILESFc1ccc(C=C(CCCl)c2ccccc2)cc1
InChIInChI=1S/C16H14ClF/c17-11-10-15(14-4-2-1-3-5-14)12-13-6-8-16(18)9-7-13/h1-9,12H,10-11H2
InChIKeyYUMUCSPSWSNZHJ-UHFFFAOYSA-N
MW260.74 g/mol
LogP5.00
Rot. Bonds4

About 1-(4-chloro-2-phenylbut-1-enyl)-4-fluorobenzene

1-(4-chloro-2-phenylbut-1-enyl)-4-fluorobenzene (PubChem CID 152586200) has the molecular formula C16H14ClF and a molecular weight of 260.74 g/mol. Its IUPAC name is 1-(4-chloro-2-phenylbut-1-enyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(4-chloro-2-phenylbut-1-enyl)-4-fluorobenzene
PubChem CID152586200
Molecular FormulaC16H14ClF
Molecular Weight260.74 g/mol
Exact Mass260.08
IUPAC Name1-(4-chloro-2-phenylbut-1-enyl)-4-fluorobenzene
SMILESFc1ccc(C=C(CCCl)c2ccccc2)cc1
InChIInChI=1S/C16H14ClF/c17-11-10-15(14-4-2-1-3-5-14)12-13-6-8-16(18)9-7-13/h1-9,12H,10-11H2
InChIKeyYUMUCSPSWSNZHJ-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-phenylbut-1-enyl)-4-fluorobenzene?
The IUPAC name of 1-(4-chloro-2-phenylbut-1-enyl)-4-fluorobenzene (CID 152586200) is 1-(4-chloro-2-phenylbut-1-enyl)-4-fluorobenzene.
What is the SMILES notation for 1-(4-chloro-2-phenylbut-1-enyl)-4-fluorobenzene?
The canonical SMILES for 1-(4-chloro-2-phenylbut-1-enyl)-4-fluorobenzene is Fc1ccc(C=C(CCCl)c2ccccc2)cc1.
What is the InChIKey of 1-(4-chloro-2-phenylbut-1-enyl)-4-fluorobenzene?
The InChIKey is YUMUCSPSWSNZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF/c17-11-10-15(14-4-2-1-3-5-14)12-13-6-8-16(18)9-7-13/h1-9,12H,10-11H2.
What are the key properties of 1-(4-chloro-2-phenylbut-1-enyl)-4-fluorobenzene?
1-(4-chloro-2-phenylbut-1-enyl)-4-fluorobenzene has a molecular weight of 260.74 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-phenylbut-1-enyl)-4-fluorobenzene is sourced from PubChem (CID 152586200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).