1-butyl-2-(1-fluoroethenyl)benzene

C12H15F — CID 143939431

IUPAC1-butyl-2-(1-fluoroethenyl)benzene
SMILESC=C(F)c1ccccc1CCCC
InChIInChI=1S/C12H15F/c1-3-4-7-11-8-5-6-9-12(11)10(2)13/h5-6,8-9H,2-4,7H2,1H3
InChIKeyIKZHKKLJXRUZFB-UHFFFAOYSA-N
MW178.25 g/mol
LogP3.97
Rot. Bonds4

About 1-butyl-2-(1-fluoroethenyl)benzene

1-butyl-2-(1-fluoroethenyl)benzene (PubChem CID 143939431) has the molecular formula C12H15F and a molecular weight of 178.25 g/mol. Its IUPAC name is 1-butyl-2-(1-fluoroethenyl)benzene.

Molecular Properties

Compound Name1-butyl-2-(1-fluoroethenyl)benzene
PubChem CID143939431
Molecular FormulaC12H15F
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name1-butyl-2-(1-fluoroethenyl)benzene
SMILESC=C(F)c1ccccc1CCCC
InChIInChI=1S/C12H15F/c1-3-4-7-11-8-5-6-9-12(11)10(2)13/h5-6,8-9H,2-4,7H2,1H3
InChIKeyIKZHKKLJXRUZFB-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-2-[(3Z)-penta-1,3-dien-2-yl]benzene
CID 144862255
azane;2-butylbenzoic acid
CID 174819524
2-butylbenzamide
CID 15468173
(Z)-1-(2-butylphenyl)-N-methylprop-1-en-1-amine
CID 167258791
1-butyl-2-(2-methylidenebut-3-enyl)benzene
CID 140596675
bis(2-butylbenzoate);cadmium(2+)
CID 101299924
CID 159940559
CID 159940559
bis(2-butylbenzoyl) benzene-1,2-dicarboxylate
CID 87505801
2-butyl-N'-hydroxybenzenecarboximidamide
CID 141269238
1-butyl-2-prop-2-enylbenzene
CID 18786435
1-(2-propylphenyl)ethenol
CID 89240118
CID 173139810
CID 173139810

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(1-fluoroethenyl)benzene?
The IUPAC name of 1-butyl-2-(1-fluoroethenyl)benzene (CID 143939431) is 1-butyl-2-(1-fluoroethenyl)benzene.
What is the SMILES notation for 1-butyl-2-(1-fluoroethenyl)benzene?
The canonical SMILES for 1-butyl-2-(1-fluoroethenyl)benzene is C=C(F)c1ccccc1CCCC.
What is the InChIKey of 1-butyl-2-(1-fluoroethenyl)benzene?
The InChIKey is IKZHKKLJXRUZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F/c1-3-4-7-11-8-5-6-9-12(11)10(2)13/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 1-butyl-2-(1-fluoroethenyl)benzene?
1-butyl-2-(1-fluoroethenyl)benzene has a molecular weight of 178.25 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(1-fluoroethenyl)benzene is sourced from PubChem (CID 143939431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).