1-buta-1,3-dien-2-yl-4-fluorobenzene

C10H9F — CID 45090452

IUPAC1-buta-1,3-dien-2-yl-4-fluorobenzene
SMILESC=CC(=C)c1ccc(F)cc1
InChIInChI=1S/C10H9F/c1-3-8(2)9-4-6-10(11)7-5-9/h3-7H,1-2H2
InChIKeyOFSQPNNECWGYHQ-UHFFFAOYSA-N
MW148.18 g/mol
LogP3.02
Rot. Bonds2

About 1-buta-1,3-dien-2-yl-4-fluorobenzene

1-buta-1,3-dien-2-yl-4-fluorobenzene (PubChem CID 45090452) has the molecular formula C10H9F and a molecular weight of 148.18 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-yl-4-fluorobenzene.

Molecular Properties

Compound Name1-buta-1,3-dien-2-yl-4-fluorobenzene
PubChem CID45090452
Molecular FormulaC10H9F
Molecular Weight148.18 g/mol
Exact Mass148.07
IUPAC Name1-buta-1,3-dien-2-yl-4-fluorobenzene
SMILESC=CC(=C)c1ccc(F)cc1
InChIInChI=1S/C10H9F/c1-3-8(2)9-4-6-10(11)7-5-9/h3-7H,1-2H2
InChIKeyOFSQPNNECWGYHQ-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

buta-1,3-diene;1-buta-1,3-dien-2-yl-4-methylbenzene
CID 174224739
1-buta-1,3-dien-2-yl-4-(trifluoromethoxy)benzene
CID 123349767
buta-1,3-diene;buta-1,3-dien-2-ylbenzene
CID 159301078
1-(4-fluorophenyl)ethenylsilane
CID 175020263
4-buta-1,3-dien-2-ylbenzenesulfonic acid
CID 21365264
1-fluoro-4-(3-methylpenta-1,4-dien-2-yl)benzene
CID 86259242
1-fluoro-4-[1-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzene
CID 70394045
5-buta-1,3-dien-2-yl-2-fluorobenzamide
CID 123226299
ethenamine;(2E,3Z)-2-ethylidene-5-(4-fluorophenyl)hexa-3,5-dienenitrile
CID 145180646
1-(4-fluorophenyl)ethenylboronic acid
CID 21099511
1-[4-(4-fluorophenyl)phenyl]ethenol
CID 143634078
1-buta-1,3-dien-2-yl-4-butan-2-ylbenzene
CID 147431279

Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-yl-4-fluorobenzene?
The IUPAC name of 1-buta-1,3-dien-2-yl-4-fluorobenzene (CID 45090452) is 1-buta-1,3-dien-2-yl-4-fluorobenzene.
What is the SMILES notation for 1-buta-1,3-dien-2-yl-4-fluorobenzene?
The canonical SMILES for 1-buta-1,3-dien-2-yl-4-fluorobenzene is C=CC(=C)c1ccc(F)cc1.
What is the InChIKey of 1-buta-1,3-dien-2-yl-4-fluorobenzene?
The InChIKey is OFSQPNNECWGYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F/c1-3-8(2)9-4-6-10(11)7-5-9/h3-7H,1-2H2.
What are the key properties of 1-buta-1,3-dien-2-yl-4-fluorobenzene?
1-buta-1,3-dien-2-yl-4-fluorobenzene has a molecular weight of 148.18 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-yl-4-fluorobenzene is sourced from PubChem (CID 45090452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).