4-ethenyl-1,2,3-trifluoro-5-methylbenzene

C9H7F3 — CID 141314724

IUPAC4-ethenyl-1,2,3-trifluoro-5-methylbenzene
SMILESC=Cc1c(C)cc(F)c(F)c1F
InChIInChI=1S/C9H7F3/c1-3-6-5(2)4-7(10)9(12)8(6)11/h3-4H,1H2,2H3
InChIKeyAGPFPWNKTSAXFY-UHFFFAOYSA-N
MW172.15 g/mol
LogP3.06
Rot. Bonds1

About 4-ethenyl-1,2,3-trifluoro-5-methylbenzene

4-ethenyl-1,2,3-trifluoro-5-methylbenzene (PubChem CID 141314724) has the molecular formula C9H7F3 and a molecular weight of 172.15 g/mol. Its IUPAC name is 4-ethenyl-1,2,3-trifluoro-5-methylbenzene.

Molecular Properties

Compound Name4-ethenyl-1,2,3-trifluoro-5-methylbenzene
PubChem CID141314724
Molecular FormulaC9H7F3
Molecular Weight172.15 g/mol
Exact Mass172.05
IUPAC Name4-ethenyl-1,2,3-trifluoro-5-methylbenzene
SMILESC=Cc1c(C)cc(F)c(F)c1F
InChIInChI=1S/C9H7F3/c1-3-6-5(2)4-7(10)9(12)8(6)11/h3-4H,1H2,2H3
InChIKeyAGPFPWNKTSAXFY-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-ethenyl-1,3-difluoro-4-methylbenzene
CID 134441923
2-ethenyl-1,3,5-trimethylbenzene
CID 158735169
2-ethenyl-3-fluoro-1-methyl-4-(4-methylphenyl)benzene
CID 142004346
1,2-bis(ethenyl)-3,4,5,6-tetrafluorobenzene
CID 19989308
2,3,4-trifluoro-6-methylphenol
CID 54304883
2-ethenyl-1,3-difluoro-5-(3-methylphenyl)benzene
CID 175743824
2,3-bis(ethenyl)-4,6-dimethylphenol;ethane
CID 144779351
4-ethenyl-2-fluoro-1-methylbenzene
CID 20708999
1-chloro-2-ethenyl-3,5-dimethylbenzene
CID 143091149
3-bromo-1,2,4-trifluoro-5-methylbenzene
CID 54030137
1,2,3,4,5-pentafluoro-6-(2,3,6-trifluoro-5-methylphenyl)benzene
CID 121354347
3-ethenyl-4,6-dimethylpyridin-2-amine
CID 74888687

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1,2,3-trifluoro-5-methylbenzene?
The IUPAC name of 4-ethenyl-1,2,3-trifluoro-5-methylbenzene (CID 141314724) is 4-ethenyl-1,2,3-trifluoro-5-methylbenzene.
What is the SMILES notation for 4-ethenyl-1,2,3-trifluoro-5-methylbenzene?
The canonical SMILES for 4-ethenyl-1,2,3-trifluoro-5-methylbenzene is C=Cc1c(C)cc(F)c(F)c1F.
What is the InChIKey of 4-ethenyl-1,2,3-trifluoro-5-methylbenzene?
The InChIKey is AGPFPWNKTSAXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3/c1-3-6-5(2)4-7(10)9(12)8(6)11/h3-4H,1H2,2H3.
What are the key properties of 4-ethenyl-1,2,3-trifluoro-5-methylbenzene?
4-ethenyl-1,2,3-trifluoro-5-methylbenzene has a molecular weight of 172.15 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,2,3-trifluoro-5-methylbenzene is sourced from PubChem (CID 141314724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).