1-ethenyl-3-fluoro-2-propylbenzene

C11H13F — CID 66613054

IUPAC1-ethenyl-3-fluoro-2-propylbenzene
SMILESC=Cc1cccc(F)c1CCC
InChIInChI=1S/C11H13F/c1-3-6-10-9(4-2)7-5-8-11(10)12/h4-5,7-8H,2-3,6H2,1H3
InChIKeyKXKXPGICPKUVIS-UHFFFAOYSA-N
MW164.22 g/mol
LogP3.42
Rot. Bonds3

About 1-ethenyl-3-fluoro-2-propylbenzene

1-ethenyl-3-fluoro-2-propylbenzene (PubChem CID 66613054) has the molecular formula C11H13F and a molecular weight of 164.22 g/mol. Its IUPAC name is 1-ethenyl-3-fluoro-2-propylbenzene.

Molecular Properties

Compound Name1-ethenyl-3-fluoro-2-propylbenzene
PubChem CID66613054
Molecular FormulaC11H13F
Molecular Weight164.22 g/mol
Exact Mass164.10
IUPAC Name1-ethenyl-3-fluoro-2-propylbenzene
SMILESC=Cc1cccc(F)c1CCC
InChIInChI=1S/C11H13F/c1-3-6-10-9(4-2)7-5-8-11(10)12/h4-5,7-8H,2-3,6H2,1H3
InChIKeyKXKXPGICPKUVIS-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

Analyze 1-ethenyl-3-fluoro-2-propylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-3-ethenyl-2-propylbenzene
CID 171086774
1-(2-ethenyl-6-fluorophenyl)propan-2-one
CID 160689152
CID 160803924
CID 160803924
methyl 2-(2-ethenyl-6-fluorophenyl)acetate
CID 149339136
1-bromo-2-butyl-3-ethenylbenzene
CID 68743980
2-ethenyl-3-fluorobenzaldehyde
CID 86657571
ethane;1-ethenyl-2-ethyl-4-fluoro-3-methylbenzene
CID 176968104
(2-butyl-6-ethenylphenyl)methanamine
CID 70520370
1-cyclopropyl-3-fluoro-2-propylbenzene
CID 143129340
1-ethenyl-2-ethyl-3-prop-1-enylbenzene
CID 90726745
2,3-bis(ethenyl)-1-propylnaphthalene
CID 143956206
1-ethenyl-2,3,5,6-tetrafluoro-4-propylbenzene
CID 168782513

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-fluoro-2-propylbenzene?
The IUPAC name of 1-ethenyl-3-fluoro-2-propylbenzene (CID 66613054) is 1-ethenyl-3-fluoro-2-propylbenzene.
What is the SMILES notation for 1-ethenyl-3-fluoro-2-propylbenzene?
The canonical SMILES for 1-ethenyl-3-fluoro-2-propylbenzene is C=Cc1cccc(F)c1CCC.
What is the InChIKey of 1-ethenyl-3-fluoro-2-propylbenzene?
The InChIKey is KXKXPGICPKUVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F/c1-3-6-10-9(4-2)7-5-8-11(10)12/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 1-ethenyl-3-fluoro-2-propylbenzene?
1-ethenyl-3-fluoro-2-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-2-propylbenzene is sourced from PubChem (CID 66613054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).