1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene

C14H7F7O — CID 134631115

IUPAC1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene
SMILESFc1cccc(C(F)(F)F)c1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H7F7O/c15-10-6-3-5-9(13(16,17)18)12(10)8-4-1-2-7-11(8)22-14(19,20)21/h1-7H
InChIKeyWSEYISOZQLVXNT-UHFFFAOYSA-N
MW324.20 g/mol
LogP5.41
Rot. Bonds2

About 1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene

1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene (PubChem CID 134631115) has the molecular formula C14H7F7O and a molecular weight of 324.20 g/mol. Its IUPAC name is 1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene
PubChem CID134631115
Molecular FormulaC14H7F7O
Molecular Weight324.20 g/mol
Exact Mass324.04
IUPAC Name1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene
SMILESFc1cccc(C(F)(F)F)c1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H7F7O/c15-10-6-3-5-9(13(16,17)18)12(10)8-4-1-2-7-11(8)22-14(19,20)21/h1-7H
InChIKeyWSEYISOZQLVXNT-UHFFFAOYSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.20
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene
CID 22617307
2-[2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)phenyl]ethanamine
CID 118854667
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol
CID 134620434
1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline
CID 89422799
2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid
CID 118990950
[2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 134631493
2-fluoro-6-(trifluoromethoxy)phenol
CID 68960936
[2-[2-acetyloxy-6-(trifluoromethyl)phenyl]phenyl] acetate
CID 135057575
3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine
CID 134622953

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene (CID 134631115) is 1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene is Fc1cccc(C(F)(F)F)c1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene?
The InChIKey is WSEYISOZQLVXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F7O/c15-10-6-3-5-9(13(16,17)18)12(10)8-4-1-2-7-11(8)22-14(19,20)21/h1-7H.
What are the key properties of 1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene?
1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene has a molecular weight of 324.20 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 134631115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).