1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene

C18H19F — CID 72736917

IUPAC1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene
SMILESCCCC/C(=C\c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H19F/c1-2-3-9-17(14-15-7-5-4-6-8-15)16-10-12-18(19)13-11-16/h4-8,10-14H,2-3,9H2,1H3/b17-14+
InChIKeyNKMWZBJAMAODCT-SAPNQHFASA-N
MW254.35 g/mol
LogP5.56
Rot. Bonds5

About 1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene

1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene (PubChem CID 72736917) has the molecular formula C18H19F and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene
PubChem CID72736917
Molecular FormulaC18H19F
Molecular Weight254.35 g/mol
Exact Mass254.15
IUPAC Name1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene
SMILESCCCC/C(=C\c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H19F/c1-2-3-9-17(14-15-7-5-4-6-8-15)16-10-12-18(19)13-11-16/h4-8,10-14H,2-3,9H2,1H3/b17-14+
InChIKeyNKMWZBJAMAODCT-SAPNQHFASA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.35
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene
CID 44521359
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
ethyl 4-[(Z)-1-phenylhept-1-en-2-yl]benzoate
CID 23658634
1-(4-chloro-2-phenylbut-1-enyl)-4-fluorobenzene
CID 152586200
[(E)-hept-2-en-3-yl]benzene
CID 14568345
[(E)-2-fluorohept-1-enyl]benzene
CID 20721098
(2E)-2-benzylidenehexanoic acid
CID 5354388
1-chloro-2-[(Z)-1-phenyloct-1-en-2-yl]benzene
CID 101104759
fluorobenzene;hexane
CID 158112243
[(Z)-non-3-en-4-yl]benzene
CID 101008148
(2Z)-2-benzylidenehexanoate
CID 21157937
2-(1,2-diphenylethenyl)hex-1-enyl-trimethylsilane
CID 10437633

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene?
The IUPAC name of 1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene (CID 72736917) is 1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene.
What is the SMILES notation for 1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene?
The canonical SMILES for 1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene is CCCC/C(=C\c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene?
The InChIKey is NKMWZBJAMAODCT-SAPNQHFASA-N. The full InChI is InChI=1S/C18H19F/c1-2-3-9-17(14-15-7-5-4-6-8-15)16-10-12-18(19)13-11-16/h4-8,10-14H,2-3,9H2,1H3/b17-14+.
What are the key properties of 1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene?
1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene has a molecular weight of 254.35 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene is sourced from PubChem (CID 72736917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).