1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene

C13H7F5O — CID 22617307

IUPAC1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene
SMILESFc1cccc(F)c1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H7F5O/c14-9-5-3-6-10(15)12(9)8-4-1-2-7-11(8)19-13(16,17)18/h1-7H
InChIKeyCYZQNGCVZSZESQ-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.53
Rot. Bonds2

About 1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene

1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene (PubChem CID 22617307) has the molecular formula C13H7F5O and a molecular weight of 274.19 g/mol. Its IUPAC name is 1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene
PubChem CID22617307
Molecular FormulaC13H7F5O
Molecular Weight274.19 g/mol
Exact Mass274.04
IUPAC Name1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene
SMILESFc1cccc(F)c1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H7F5O/c14-9-5-3-6-10(15)12(9)8-4-1-2-7-11(8)19-13(16,17)18/h1-7H
InChIKeyCYZQNGCVZSZESQ-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene
CID 134631115
3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline
CID 89422799
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
[2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 134631493
3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine
CID 134622953
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
1,2,4-trichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118848876
2-fluoro-6-(trifluoromethoxy)phenol
CID 68960936
2-[2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)phenyl]ethanamine
CID 118854667
[2-[2-(trifluoromethoxy)phenyl]phenyl]azanium
CID 147037666

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene (CID 22617307) is 1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene is Fc1cccc(F)c1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene?
The InChIKey is CYZQNGCVZSZESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5O/c14-9-5-3-6-10(15)12(9)8-4-1-2-7-11(8)19-13(16,17)18/h1-7H.
What are the key properties of 1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene?
1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene has a molecular weight of 274.19 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 22617307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).