2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene

C14H8F6O2 — CID 118842889

IUPAC2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene
SMILESFc1ccc(-c2cccc(OC(F)(F)F)c2)c(OC(F)F)c1
InChIInChI=1S/C14H8F6O2/c15-9-4-5-11(12(7-9)21-13(16)17)8-2-1-3-10(6-8)22-14(18,19)20/h1-7,13H
InChIKeyVQQVBDGZZOIVDI-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.99
Rot. Bonds4

About 2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene

2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene (PubChem CID 118842889) has the molecular formula C14H8F6O2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene
PubChem CID118842889
Molecular FormulaC14H8F6O2
Molecular Weight322.20 g/mol
Exact Mass322.04
IUPAC Name2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene
SMILESFc1ccc(-c2cccc(OC(F)(F)F)c2)c(OC(F)F)c1
InChIInChI=1S/C14H8F6O2/c15-9-4-5-11(12(7-9)21-13(16)17)8-2-1-3-10(6-8)22-14(18,19)20/h1-7,13H
InChIKeyVQQVBDGZZOIVDI-UHFFFAOYSA-N
XLogP4.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118828304
5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol
CID 79018315
4-fluoro-1-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene
CID 134628195
4-fluoro-2-iodo-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118799410
2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
CID 134622401
4-fluoro-2-[3-(trifluoromethoxy)phenyl]benzaldehyde
CID 103694064
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene
CID 118838147
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene (CID 118842889) is 2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene is Fc1ccc(-c2cccc(OC(F)(F)F)c2)c(OC(F)F)c1.
What is the InChIKey of 2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene?
The InChIKey is VQQVBDGZZOIVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6O2/c15-9-4-5-11(12(7-9)21-13(16)17)8-2-1-3-10(6-8)22-14(18,19)20/h1-7,13H.
What are the key properties of 2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene?
2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene has a molecular weight of 322.20 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 118842889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).