2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene

C14H7F7O2 — CID 118811736

IUPAC2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
SMILESFc1cc(-c2ccccc2OC(F)(F)F)ccc1OC(F)(F)F
InChIInChI=1S/C14H7F7O2/c15-10-7-8(5-6-12(10)23-14(19,20)21)9-3-1-2-4-11(9)22-13(16,17)18/h1-7H
InChIKeyIFAKEVVRCVQKIU-UHFFFAOYSA-N
MW340.19 g/mol
LogP5.29
Rot. Bonds3

About 2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene

2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene (PubChem CID 118811736) has the molecular formula C14H7F7O2 and a molecular weight of 340.19 g/mol. Its IUPAC name is 2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
PubChem CID118811736
Molecular FormulaC14H7F7O2
Molecular Weight340.19 g/mol
Exact Mass340.03
IUPAC Name2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
SMILESFc1cc(-c2ccccc2OC(F)(F)F)ccc1OC(F)(F)F
InChIInChI=1S/C14H7F7O2/c15-10-7-8(5-6-12(10)23-14(19,20)21)9-3-1-2-4-11(9)22-13(16,17)18/h1-7H
InChIKeyIFAKEVVRCVQKIU-UHFFFAOYSA-N
XLogP5.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.19
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(chloromethyl)-2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118850748
2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134628099
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769
1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene
CID 123878641
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845597
4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 118805901
1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene
CID 134627988
4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenol
CID 90022757

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene (CID 118811736) is 2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene is Fc1cc(-c2ccccc2OC(F)(F)F)ccc1OC(F)(F)F.
What is the InChIKey of 2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene?
The InChIKey is IFAKEVVRCVQKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F7O2/c15-10-7-8(5-6-12(10)23-14(19,20)21)9-3-1-2-4-11(9)22-13(16,17)18/h1-7H.
What are the key properties of 2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene?
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene has a molecular weight of 340.19 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 118811736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).