1-fluoro-4-(3-methylbut-3-enyl)benzene

C11H13F — CID 24721825

IUPAC1-fluoro-4-(3-methylbut-3-enyl)benzene
SMILESC=C(C)CCc1ccc(F)cc1
InChIInChI=1S/C11H13F/c1-9(2)3-4-10-5-7-11(12)8-6-10/h5-8H,1,3-4H2,2H3
InChIKeyMWORJQAASXZLDM-UHFFFAOYSA-N
MW164.22 g/mol
LogP3.33
Rot. Bonds3

About 1-fluoro-4-(3-methylbut-3-enyl)benzene

1-fluoro-4-(3-methylbut-3-enyl)benzene (PubChem CID 24721825) has the molecular formula C11H13F and a molecular weight of 164.22 g/mol. Its IUPAC name is 1-fluoro-4-(3-methylbut-3-enyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(3-methylbut-3-enyl)benzene
PubChem CID24721825
Molecular FormulaC11H13F
Molecular Weight164.22 g/mol
Exact Mass164.10
IUPAC Name1-fluoro-4-(3-methylbut-3-enyl)benzene
SMILESC=C(C)CCc1ccc(F)cc1
InChIInChI=1S/C11H13F/c1-9(2)3-4-10-5-7-11(12)8-6-10/h5-8H,1,3-4H2,2H3
InChIKeyMWORJQAASXZLDM-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 53.33
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-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene
CID 143231860
4-(3-methylbut-3-enyl)aniline
CID 126710999
2-methylprop-2-enyl 3-(4-fluorophenyl)propanoate
CID 78833084
1-fluoro-4-(2-methylprop-2-enyl)benzene
CID 10954713
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
1-(4-fluorophenyl)-4-methylpent-4-en-1-one
CID 70328582
1-[(Z,3Z)-3-ethylidene-6-methylidenenon-4-enyl]-4-fluorobenzene
CID 143694215
[1-(4-fluorophenyl)-5-methylhex-5-en-2-yl]hydrazine
CID 105198284
1-fluoro-4-propylbenzene
CID 2737505
1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene
CID 146002662
1-[2-(4-fluorophenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910401
N-(2-chloroprop-2-enyl)-3-(4-fluorophenyl)propanamide
CID 115636730

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(3-methylbut-3-enyl)benzene?
The IUPAC name of 1-fluoro-4-(3-methylbut-3-enyl)benzene (CID 24721825) is 1-fluoro-4-(3-methylbut-3-enyl)benzene.
What is the SMILES notation for 1-fluoro-4-(3-methylbut-3-enyl)benzene?
The canonical SMILES for 1-fluoro-4-(3-methylbut-3-enyl)benzene is C=C(C)CCc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(3-methylbut-3-enyl)benzene?
The InChIKey is MWORJQAASXZLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F/c1-9(2)3-4-10-5-7-11(12)8-6-10/h5-8H,1,3-4H2,2H3.
What are the key properties of 1-fluoro-4-(3-methylbut-3-enyl)benzene?
1-fluoro-4-(3-methylbut-3-enyl)benzene has a molecular weight of 164.22 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(3-methylbut-3-enyl)benzene is sourced from PubChem (CID 24721825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).