2-ethenyl-1,3-difluoro-5-(3-methylphenyl)benzene

C15H12F2 — CID 175743824

IUPAC2-ethenyl-1,3-difluoro-5-(3-methylphenyl)benzene
SMILESC=Cc1c(F)cc(-c2cccc(C)c2)cc1F
InChIInChI=1S/C15H12F2/c1-3-13-14(16)8-12(9-15(13)17)11-6-4-5-10(2)7-11/h3-9H,1H2,2H3
InChIKeyKLEBIAGZBDGXMP-UHFFFAOYSA-N
MW230.26 g/mol
LogP4.58
Rot. Bonds2

About 2-ethenyl-1,3-difluoro-5-(3-methylphenyl)benzene

2-ethenyl-1,3-difluoro-5-(3-methylphenyl)benzene (PubChem CID 175743824) has the molecular formula C15H12F2 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-ethenyl-1,3-difluoro-5-(3-methylphenyl)benzene.

Molecular Properties

Compound Name2-ethenyl-1,3-difluoro-5-(3-methylphenyl)benzene
PubChem CID175743824
Molecular FormulaC15H12F2
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-ethenyl-1,3-difluoro-5-(3-methylphenyl)benzene
SMILESC=Cc1c(F)cc(-c2cccc(C)c2)cc1F
InChIInChI=1S/C15H12F2/c1-3-13-14(16)8-12(9-15(13)17)11-6-4-5-10(2)7-11/h3-9H,1H2,2H3
InChIKeyKLEBIAGZBDGXMP-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,3-difluoro-5-(3-methylphenyl)benzene?
The IUPAC name of 2-ethenyl-1,3-difluoro-5-(3-methylphenyl)benzene (CID 175743824) is 2-ethenyl-1,3-difluoro-5-(3-methylphenyl)benzene.
What is the SMILES notation for 2-ethenyl-1,3-difluoro-5-(3-methylphenyl)benzene?
The canonical SMILES for 2-ethenyl-1,3-difluoro-5-(3-methylphenyl)benzene is C=Cc1c(F)cc(-c2cccc(C)c2)cc1F.
What is the InChIKey of 2-ethenyl-1,3-difluoro-5-(3-methylphenyl)benzene?
The InChIKey is KLEBIAGZBDGXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2/c1-3-13-14(16)8-12(9-15(13)17)11-6-4-5-10(2)7-11/h3-9H,1H2,2H3.
What are the key properties of 2-ethenyl-1,3-difluoro-5-(3-methylphenyl)benzene?
2-ethenyl-1,3-difluoro-5-(3-methylphenyl)benzene has a molecular weight of 230.26 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,3-difluoro-5-(3-methylphenyl)benzene is sourced from PubChem (CID 175743824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).