1-ethenyl-2-methyl-4-(3,4,4-trifluorobut-3-enyl)benzene

C13H13F3 — CID 19994174

IUPAC1-ethenyl-2-methyl-4-(3,4,4-trifluorobut-3-enyl)benzene
SMILESC=Cc1ccc(CCC(F)=C(F)F)cc1C
InChIInChI=1S/C13H13F3/c1-3-11-6-4-10(8-9(11)2)5-7-12(14)13(15)16/h3-4,6,8H,1,5,7H2,2H3
InChIKeySSYZHJPBZCWVOV-UHFFFAOYSA-N
MW226.24 g/mol
LogP4.65
Rot. Bonds4

About 1-ethenyl-2-methyl-4-(3,4,4-trifluorobut-3-enyl)benzene

1-ethenyl-2-methyl-4-(3,4,4-trifluorobut-3-enyl)benzene (PubChem CID 19994174) has the molecular formula C13H13F3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-ethenyl-2-methyl-4-(3,4,4-trifluorobut-3-enyl)benzene.

Molecular Properties

Compound Name1-ethenyl-2-methyl-4-(3,4,4-trifluorobut-3-enyl)benzene
PubChem CID19994174
Molecular FormulaC13H13F3
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name1-ethenyl-2-methyl-4-(3,4,4-trifluorobut-3-enyl)benzene
SMILESC=Cc1ccc(CCC(F)=C(F)F)cc1C
InChIInChI=1S/C13H13F3/c1-3-11-6-4-10(8-9(11)2)5-7-12(14)13(15)16/h3-4,6,8H,1,5,7H2,2H3
InChIKeySSYZHJPBZCWVOV-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethenyl-2-methyl-4-(3,4,4-trifluorobut-3-enyl)benzene 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

4-[(E)-but-2-enyl]-1-ethenyl-2-methylbenzene
CID 145113749
1-ethenyl-2,4-dimethylbenzene
CID 157285903
methyl 3-(4-ethenyl-3-fluorophenyl)propanoate
CID 167531141
1,2-bis(ethenyl)-4-propylbenzene
CID 142025634
1,4-bis(ethenyl)-2-methylbenzene;dihydrate
CID 134586695
1-ethenyl-2,4-dipropylbenzene
CID 22033822
4-but-3-enyl-1,2-dimethylbenzene
CID 24721981
ethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene
CID 143112871
1,4-bis(ethenyl)-2,3-dimethylbenzene;dihydrate
CID 134586687
S-(4-ethenyl-3-methylphenyl) ethanethioate
CID 139751966
1,2,4-tris(ethenyl)-5-methylbenzene
CID 59335502
4-(3,4-dimethylphenyl)butan-2-one;propane
CID 143070567

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methyl-4-(3,4,4-trifluorobut-3-enyl)benzene?
The IUPAC name of 1-ethenyl-2-methyl-4-(3,4,4-trifluorobut-3-enyl)benzene (CID 19994174) is 1-ethenyl-2-methyl-4-(3,4,4-trifluorobut-3-enyl)benzene.
What is the SMILES notation for 1-ethenyl-2-methyl-4-(3,4,4-trifluorobut-3-enyl)benzene?
The canonical SMILES for 1-ethenyl-2-methyl-4-(3,4,4-trifluorobut-3-enyl)benzene is C=Cc1ccc(CCC(F)=C(F)F)cc1C.
What is the InChIKey of 1-ethenyl-2-methyl-4-(3,4,4-trifluorobut-3-enyl)benzene?
The InChIKey is SSYZHJPBZCWVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3/c1-3-11-6-4-10(8-9(11)2)5-7-12(14)13(15)16/h3-4,6,8H,1,5,7H2,2H3.
What are the key properties of 1-ethenyl-2-methyl-4-(3,4,4-trifluorobut-3-enyl)benzene?
1-ethenyl-2-methyl-4-(3,4,4-trifluorobut-3-enyl)benzene has a molecular weight of 226.24 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methyl-4-(3,4,4-trifluorobut-3-enyl)benzene is sourced from PubChem (CID 19994174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).