1-ethenyl-2-(1-fluorobutyl)benzene

C12H15F — CID 69254975

IUPAC1-ethenyl-2-(1-fluorobutyl)benzene
SMILESC=Cc1ccccc1C(F)CCC
InChIInChI=1S/C12H15F/c1-3-7-12(13)11-9-6-5-8-10(11)4-2/h4-6,8-9,12H,2-3,7H2,1H3
InChIKeyHMYHUHBWMDMQIL-UHFFFAOYSA-N
MW178.25 g/mol
LogP4.14
Rot. Bonds4

About 1-ethenyl-2-(1-fluorobutyl)benzene

1-ethenyl-2-(1-fluorobutyl)benzene (PubChem CID 69254975) has the molecular formula C12H15F and a molecular weight of 178.25 g/mol. Its IUPAC name is 1-ethenyl-2-(1-fluorobutyl)benzene.

Molecular Properties

Compound Name1-ethenyl-2-(1-fluorobutyl)benzene
PubChem CID69254975
Molecular FormulaC12H15F
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name1-ethenyl-2-(1-fluorobutyl)benzene
SMILESC=Cc1ccccc1C(F)CCC
InChIInChI=1S/C12H15F/c1-3-7-12(13)11-9-6-5-8-10(11)4-2/h4-6,8-9,12H,2-3,7H2,1H3
InChIKeyHMYHUHBWMDMQIL-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-(2-ethenylphenyl)ethanethiol
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1-(2-chloropentan-3-yl)-2-ethenylbenzene
CID 139903375
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CID 70498965
1-ethenyl-2-[methoxy(phenyl)methyl]benzene
CID 174513037
2-(1-fluorobutyl)benzohydrazide
CID 146469661
1-(2-ethenylphenyl)-4-(methylamino)butane-1,2-diol
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CID 150187096

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-(1-fluorobutyl)benzene?
The IUPAC name of 1-ethenyl-2-(1-fluorobutyl)benzene (CID 69254975) is 1-ethenyl-2-(1-fluorobutyl)benzene.
What is the SMILES notation for 1-ethenyl-2-(1-fluorobutyl)benzene?
The canonical SMILES for 1-ethenyl-2-(1-fluorobutyl)benzene is C=Cc1ccccc1C(F)CCC.
What is the InChIKey of 1-ethenyl-2-(1-fluorobutyl)benzene?
The InChIKey is HMYHUHBWMDMQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F/c1-3-7-12(13)11-9-6-5-8-10(11)4-2/h4-6,8-9,12H,2-3,7H2,1H3.
What are the key properties of 1-ethenyl-2-(1-fluorobutyl)benzene?
1-ethenyl-2-(1-fluorobutyl)benzene has a molecular weight of 178.25 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-(1-fluorobutyl)benzene is sourced from PubChem (CID 69254975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).