1-[(E)-but-2-enyl]-4-fluorobenzene

C10H11F — CID 13240703

IUPAC1-[(E)-but-2-enyl]-4-fluorobenzene
SMILESC/C=C/Cc1ccc(F)cc1
InChIInChI=1S/C10H11F/c1-2-3-4-9-5-7-10(11)8-6-9/h2-3,5-8H,4H2,1H3/b3-2+
InChIKeyBNPIMZOVKJNIRM-NSCUHMNNSA-N
MW150.20 g/mol
LogP2.94
Rot. Bonds2

About 1-[(E)-but-2-enyl]-4-fluorobenzene

1-[(E)-but-2-enyl]-4-fluorobenzene (PubChem CID 13240703) has the molecular formula C10H11F and a molecular weight of 150.20 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-4-fluorobenzene
PubChem CID13240703
Molecular FormulaC10H11F
Molecular Weight150.20 g/mol
Exact Mass150.08
IUPAC Name1-[(E)-but-2-enyl]-4-fluorobenzene
SMILESC/C=C/Cc1ccc(F)cc1
InChIInChI=1S/C10H11F/c1-2-3-4-9-5-7-10(11)8-6-9/h2-3,5-8H,4H2,1H3/b3-2+
InChIKeyBNPIMZOVKJNIRM-NSCUHMNNSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-2-enyl]-4-propylbenzene
CID 12579285
1-fluoro-4-prop-2-enylbenzene;methanamine
CID 143096990
(E)-4-(4-fluorophenyl)but-2-enal
CID 57413316
1-but-2-enyl-4-(2-chloroethyl)benzene
CID 175436209
2-(4-fluorophenyl)acetaldehyde;propane
CID 142055613
ditert-butyl-[3-(4-fluorophenyl)prop-1-enyl]phosphane
CID 118536238
[(E)-but-2-enyl] 2-(4-fluorophenyl)acetate
CID 78830523
1-but-2-enoxy-4-but-2-enylbenzene
CID 70608541
but-2-enylbenzene;prop-1-ene
CID 159250462
1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene
CID 140774680
4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene
CID 59307258
1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene
CID 140774698

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-4-fluorobenzene?
The IUPAC name of 1-[(E)-but-2-enyl]-4-fluorobenzene (CID 13240703) is 1-[(E)-but-2-enyl]-4-fluorobenzene.
What is the SMILES notation for 1-[(E)-but-2-enyl]-4-fluorobenzene?
The canonical SMILES for 1-[(E)-but-2-enyl]-4-fluorobenzene is C/C=C/Cc1ccc(F)cc1.
What is the InChIKey of 1-[(E)-but-2-enyl]-4-fluorobenzene?
The InChIKey is BNPIMZOVKJNIRM-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H11F/c1-2-3-4-9-5-7-10(11)8-6-9/h2-3,5-8H,4H2,1H3/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]-4-fluorobenzene?
1-[(E)-but-2-enyl]-4-fluorobenzene has a molecular weight of 150.20 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-4-fluorobenzene is sourced from PubChem (CID 13240703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).