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

C9H5F5 — CID 141427748

IUPAC5-ethenyl-1,3-difluoro-2-(trifluoromethyl)benzene
SMILESC=Cc1cc(F)c(C(F)(F)F)c(F)c1
InChIInChI=1S/C9H5F5/c1-2-5-3-6(10)8(7(11)4-5)9(12,13)14/h2-4H,1H2
InChIKeyPZZASSBIRVFMKO-UHFFFAOYSA-N
MW208.13 g/mol
LogP3.63
Rot. Bonds1

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

5-ethenyl-1,3-difluoro-2-(trifluoromethyl)benzene (PubChem CID 141427748) has the molecular formula C9H5F5 and a molecular weight of 208.13 g/mol. Its IUPAC name is 5-ethenyl-1,3-difluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-ethenyl-1,3-difluoro-2-(trifluoromethyl)benzene
PubChem CID141427748
Molecular FormulaC9H5F5
Molecular Weight208.13 g/mol
Exact Mass208.03
IUPAC Name5-ethenyl-1,3-difluoro-2-(trifluoromethyl)benzene
SMILESC=Cc1cc(F)c(C(F)(F)F)c(F)c1
InChIInChI=1S/C9H5F5/c1-2-5-3-6(10)8(7(11)4-5)9(12,13)14/h2-4H,1H2
InChIKeyPZZASSBIRVFMKO-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1,3-difluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 5-ethenyl-1,3-difluoro-2-(trifluoromethyl)benzene (CID 141427748) is 5-ethenyl-1,3-difluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 5-ethenyl-1,3-difluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 5-ethenyl-1,3-difluoro-2-(trifluoromethyl)benzene is C=Cc1cc(F)c(C(F)(F)F)c(F)c1.
What is the InChIKey of 5-ethenyl-1,3-difluoro-2-(trifluoromethyl)benzene?
The InChIKey is PZZASSBIRVFMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5/c1-2-5-3-6(10)8(7(11)4-5)9(12,13)14/h2-4H,1H2.
What are the key properties of 5-ethenyl-1,3-difluoro-2-(trifluoromethyl)benzene?
5-ethenyl-1,3-difluoro-2-(trifluoromethyl)benzene has a molecular weight of 208.13 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,3-difluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 141427748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).