1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene

C20H11F7O2 — CID 164895353

IUPAC1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
SMILESFc1cc(-c2ccc(OC(F)(F)F)cc2)cc(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C20H11F7O2/c21-16-10-14(12-1-5-17(6-2-12)28-19(22,23)24)9-15(11-16)13-3-7-18(8-4-13)29-20(25,26)27/h1-11H
InChIKeyOBZWGFJBDPCSHB-UHFFFAOYSA-N
MW416.29 g/mol
LogP6.96
Rot. Bonds4

About 1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene

1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene (PubChem CID 164895353) has the molecular formula C20H11F7O2 and a molecular weight of 416.29 g/mol. Its IUPAC name is 1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
PubChem CID164895353
Molecular FormulaC20H11F7O2
Molecular Weight416.29 g/mol
Exact Mass416.06
IUPAC Name1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
SMILESFc1cc(-c2ccc(OC(F)(F)F)cc2)cc(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C20H11F7O2/c21-16-10-14(12-1-5-17(6-2-12)28-19(22,23)24)9-15(11-16)13-3-7-18(8-4-13)29-20(25,26)27/h1-11H
InChIKeyOBZWGFJBDPCSHB-UHFFFAOYSA-N
XLogP6.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.29
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228260
2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845597
2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 175684292
2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol
CID 53219695
ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene
CID 144678762
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol
CID 134630076
1-fluoro-4-[4-[6-[2-[6-[4-(trifluoromethoxy)phenoxy]hexoxy]phenoxy]hexoxy]phenyl]benzene
CID 102208232
1,3-difluoro-5-(4-methoxyphenyl)benzene
CID 11499528
1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
CID 59726185
3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzaldehyde
CID 118811729
3-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091567

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene (CID 164895353) is 1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene is Fc1cc(-c2ccc(OC(F)(F)F)cc2)cc(-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene?
The InChIKey is OBZWGFJBDPCSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F7O2/c21-16-10-14(12-1-5-17(6-2-12)28-19(22,23)24)9-15(11-16)13-3-7-18(8-4-13)29-20(25,26)27/h1-11H.
What are the key properties of 1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene?
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene has a molecular weight of 416.29 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 164895353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).