1-ethenyl-3-fluoro-5-propylbenzene

C11H13F — CID 118269346

IUPAC1-ethenyl-3-fluoro-5-propylbenzene
SMILESC=Cc1cc(F)cc(CCC)c1
InChIInChI=1S/C11H13F/c1-3-5-10-6-9(4-2)7-11(12)8-10/h4,6-8H,2-3,5H2,1H3
InChIKeyGSAXYDKNDBLDAF-UHFFFAOYSA-N
MW164.22 g/mol
LogP3.42
Rot. Bonds3

About 1-ethenyl-3-fluoro-5-propylbenzene

1-ethenyl-3-fluoro-5-propylbenzene (PubChem CID 118269346) has the molecular formula C11H13F and a molecular weight of 164.22 g/mol. Its IUPAC name is 1-ethenyl-3-fluoro-5-propylbenzene.

Molecular Properties

Compound Name1-ethenyl-3-fluoro-5-propylbenzene
PubChem CID118269346
Molecular FormulaC11H13F
Molecular Weight164.22 g/mol
Exact Mass164.10
IUPAC Name1-ethenyl-3-fluoro-5-propylbenzene
SMILESC=Cc1cc(F)cc(CCC)c1
InChIInChI=1S/C11H13F/c1-3-5-10-6-9(4-2)7-11(12)8-10/h4,6-8H,2-3,5H2,1H3
InChIKeyGSAXYDKNDBLDAF-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-5-propylbenzene;fluoromethane
CID 143588669
3-ethenyl-5-propylbenzonitrile
CID 118269747
ethane;1-ethenyl-3-fluoro-5-[2-[3-(2-fluoropropan-2-yl)-5-methylphenyl]ethyl]benzene
CID 144776411
1-ethenyl-3-ethoxy-5-fluorobenzene
CID 118268941
1-ethenyl-3-fluoro-5-iodobenzene
CID 168851196
3-bromo-5-fluorobenzaldehyde;3-butyl-5-fluorobenzaldehyde
CID 87647568
N-cyclopropyl-2-(3-ethenyl-5-fluorophenyl)acetamide
CID 176515195
1-ethenyl-4-pentylbenzene;1,2,3,5-tetrafluorobenzene
CID 90876868
1-fluoro-3-propyl-5-(trifluoromethoxy)benzene
CID 142581036
1-ethenyl-3-(3-propylphenyl)benzene
CID 90994074
1-(difluoromethyl)-3-ethenyl-5-fluorobenzene
CID 155293606
2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol
CID 62800447

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-fluoro-5-propylbenzene?
The IUPAC name of 1-ethenyl-3-fluoro-5-propylbenzene (CID 118269346) is 1-ethenyl-3-fluoro-5-propylbenzene.
What is the SMILES notation for 1-ethenyl-3-fluoro-5-propylbenzene?
The canonical SMILES for 1-ethenyl-3-fluoro-5-propylbenzene is C=Cc1cc(F)cc(CCC)c1.
What is the InChIKey of 1-ethenyl-3-fluoro-5-propylbenzene?
The InChIKey is GSAXYDKNDBLDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F/c1-3-5-10-6-9(4-2)7-11(12)8-10/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 1-ethenyl-3-fluoro-5-propylbenzene?
1-ethenyl-3-fluoro-5-propylbenzene has a molecular weight of 164.22 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-fluoro-5-propylbenzene is sourced from PubChem (CID 118269346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).