1-[5-ethenyl-2-(trifluoromethoxy)phenyl]-3,5-difluorobenzene

C15H9F5O — CID 172879664

IUPAC1-[5-ethenyl-2-(trifluoromethoxy)phenyl]-3,5-difluorobenzene
SMILESC=Cc1ccc(OC(F)(F)F)c(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H9F5O/c1-2-9-3-4-14(21-15(18,19)20)13(5-9)10-6-11(16)8-12(17)7-10/h2-8H,1H2
InChIKeyQHSWIAXIELPQGH-UHFFFAOYSA-N
MW300.23 g/mol
LogP5.17
Rot. Bonds3

About 1-[5-ethenyl-2-(trifluoromethoxy)phenyl]-3,5-difluorobenzene

1-[5-ethenyl-2-(trifluoromethoxy)phenyl]-3,5-difluorobenzene (PubChem CID 172879664) has the molecular formula C15H9F5O and a molecular weight of 300.23 g/mol. Its IUPAC name is 1-[5-ethenyl-2-(trifluoromethoxy)phenyl]-3,5-difluorobenzene.

Molecular Properties

Compound Name1-[5-ethenyl-2-(trifluoromethoxy)phenyl]-3,5-difluorobenzene
PubChem CID172879664
Molecular FormulaC15H9F5O
Molecular Weight300.23 g/mol
Exact Mass300.06
IUPAC Name1-[5-ethenyl-2-(trifluoromethoxy)phenyl]-3,5-difluorobenzene
SMILESC=Cc1ccc(OC(F)(F)F)c(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H9F5O/c1-2-9-3-4-14(21-15(18,19)20)13(5-9)10-6-11(16)8-12(17)7-10/h2-8H,1H2
InChIKeyQHSWIAXIELPQGH-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.23
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dimethylphenyl)-4-ethenyl-1-(trifluoromethoxy)benzene
CID 172879658
4-ethenyl-2-(4-phenylmethoxyphenyl)-1-(trifluoromethoxy)benzene
CID 172879654
1-cyclopropyl-4-ethenyl-2-(trifluoromethoxy)benzene
CID 118268925
4-[5-ethenyl-2-(trifluoromethoxy)phenyl]-1-(oxan-2-yl)pyrazole
CID 172906877
4-ethenyl-1-methoxy-2-(4-methylphenyl)benzene
CID 172879757
3-(3,4-dimethylphenyl)-4-(trifluoromethoxy)benzaldehyde
CID 172879620
4-ethenyl-1-phenylmethoxy-2-(trifluoromethoxy)benzene
CID 155293536
3-fluoro-5-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134626601
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769
2-[[7-[5-ethenyl-2-(trifluoromethoxy)phenyl]-3,3-dimethyl-2H-1-benzofuran-5-yl]methoxy]ethanol
CID 18445374
4-fluoro-2,6-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 133088911
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethenyl-2-(trifluoromethoxy)phenyl]-3,5-difluorobenzene?
The IUPAC name of 1-[5-ethenyl-2-(trifluoromethoxy)phenyl]-3,5-difluorobenzene (CID 172879664) is 1-[5-ethenyl-2-(trifluoromethoxy)phenyl]-3,5-difluorobenzene.
What is the SMILES notation for 1-[5-ethenyl-2-(trifluoromethoxy)phenyl]-3,5-difluorobenzene?
The canonical SMILES for 1-[5-ethenyl-2-(trifluoromethoxy)phenyl]-3,5-difluorobenzene is C=Cc1ccc(OC(F)(F)F)c(-c2cc(F)cc(F)c2)c1.
What is the InChIKey of 1-[5-ethenyl-2-(trifluoromethoxy)phenyl]-3,5-difluorobenzene?
The InChIKey is QHSWIAXIELPQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5O/c1-2-9-3-4-14(21-15(18,19)20)13(5-9)10-6-11(16)8-12(17)7-10/h2-8H,1H2.
What are the key properties of 1-[5-ethenyl-2-(trifluoromethoxy)phenyl]-3,5-difluorobenzene?
1-[5-ethenyl-2-(trifluoromethoxy)phenyl]-3,5-difluorobenzene has a molecular weight of 300.23 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethenyl-2-(trifluoromethoxy)phenyl]-3,5-difluorobenzene is sourced from PubChem (CID 172879664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).