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

C14H7F7O2 — CID 118845597

IUPAC2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
SMILESFc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1OC(F)(F)F
InChIInChI=1S/C14H7F7O2/c15-11-7-9(3-6-12(11)23-14(19,20)21)8-1-4-10(5-2-8)22-13(16,17)18/h1-7H
InChIKeyZSAYAKIADNPBBZ-UHFFFAOYSA-N
MW340.19 g/mol
LogP5.29
Rot. Bonds3

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

2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene (PubChem CID 118845597) has the molecular formula C14H7F7O2 and a molecular weight of 340.19 g/mol. Its IUPAC name is 2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
PubChem CID118845597
Molecular FormulaC14H7F7O2
Molecular Weight340.19 g/mol
Exact Mass340.03
IUPAC Name2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
SMILESFc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1OC(F)(F)F
InChIInChI=1S/C14H7F7O2/c15-11-7-9(3-6-12(11)23-14(19,20)21)8-1-4-10(5-2-8)22-13(16,17)18/h1-7H
InChIKeyZSAYAKIADNPBBZ-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

2-fluoro-4-[4-[9-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenoxy]nonoxy]phenyl]-1-(trifluoromethoxy)benzene
CID 118245658
4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenol
CID 90022757
2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol
CID 53219695
4-[4-[9-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenoxy]nonoxy]phenyl]benzonitrile
CID 118245666
2-fluoro-4-[4-[8-[4-(4-isocyanophenyl)phenoxy]octoxy]phenyl]-1-(trifluoromethoxy)benzene
CID 59583309
4-[4-[amino-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenoxy]methoxy]phenyl]benzonitrile
CID 139516373
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 175684292
2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-(2,4,6-trifluorophenyl)benzene
CID 58738425
2-fluoro-4-[4-(4-hexylphenyl)phenyl]-1-(trifluoromethoxy)benzene
CID 19436396
4-[3-bromo-4-(trifluoromethoxy)phenyl]pyridine;4-[4-(trifluoromethoxy)phenyl]pyridine
CID 158192598

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene (CID 118845597) is 2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene is Fc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1OC(F)(F)F.
What is the InChIKey of 2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene?
The InChIKey is ZSAYAKIADNPBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F7O2/c15-11-7-9(3-6-12(11)23-14(19,20)21)8-1-4-10(5-2-8)22-13(16,17)18/h1-7H.
What are the key properties of 2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene?
2-fluoro-1-(trifluoromethoxy)-4-[4-(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-[4-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 118845597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).