2-(difluoromethoxy)-1,3-difluoro-5-[4-(2,4,6-trifluorophenyl)phenyl]benzene

C19H9F7O — CID 18344232

IUPAC2-(difluoromethoxy)-1,3-difluoro-5-[4-(2,4,6-trifluorophenyl)phenyl]benzene
SMILESFc1cc(F)c(-c2ccc(-c3cc(F)c(OC(F)F)c(F)c3)cc2)c(F)c1
InChIInChI=1S/C19H9F7O/c20-12-7-13(21)17(14(22)8-12)10-3-1-9(2-4-10)11-5-15(23)18(16(24)6-11)27-19(25)26/h1-8,19H
InChIKeyXLRNUCGGVHFHQR-UHFFFAOYSA-N
MW386.27 g/mol
LogP6.32
Rot. Bonds4

About 2-(difluoromethoxy)-1,3-difluoro-5-[4-(2,4,6-trifluorophenyl)phenyl]benzene

2-(difluoromethoxy)-1,3-difluoro-5-[4-(2,4,6-trifluorophenyl)phenyl]benzene (PubChem CID 18344232) has the molecular formula C19H9F7O and a molecular weight of 386.27 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1,3-difluoro-5-[4-(2,4,6-trifluorophenyl)phenyl]benzene.

Molecular Properties

Compound Name2-(difluoromethoxy)-1,3-difluoro-5-[4-(2,4,6-trifluorophenyl)phenyl]benzene
PubChem CID18344232
Molecular FormulaC19H9F7O
Molecular Weight386.27 g/mol
Exact Mass386.05
IUPAC Name2-(difluoromethoxy)-1,3-difluoro-5-[4-(2,4,6-trifluorophenyl)phenyl]benzene
SMILESFc1cc(F)c(-c2ccc(-c3cc(F)c(OC(F)F)c(F)c3)cc2)c(F)c1
InChIInChI=1S/C19H9F7O/c20-12-7-13(21)17(14(22)8-12)10-3-1-9(2-4-10)11-5-15(23)18(16(24)6-11)27-19(25)26/h1-8,19H
InChIKeyXLRNUCGGVHFHQR-UHFFFAOYSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.27
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(difluoromethoxy)-1,3-difluoro-5-(4-methylphenyl)benzene
CID 21026870
2-[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-1,3-difluoro-5-methylbenzene
CID 21026855
2-(difluoromethoxy)-1,3-difluoro-5-[2-fluoro-4-(4-prop-1-enylphenyl)phenyl]benzene
CID 59207583
2-(difluoromethoxy)-1,3-difluoro-5-[4-[2-(4-iodocyclohexyl)ethyl]phenyl]benzene
CID 162547419
2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,3,5-trifluorobenzene
CID 63430465
2-fluoro-4-(2,4,6-trifluorophenyl)aniline
CID 54912768
1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine
CID 61034165
1,2,3-trifluoro-5-(4-fluorophenyl)benzene
CID 12982677
1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
CID 121356402
4-(2,4,6-trifluorophenyl)benzaldehyde
CID 54910403
2-(difluoromethoxy)-6-(2,6-difluoro-4-propylphenyl)-1,3,8-trifluoronaphthalene
CID 139855442
hydroxy-di(propan-2-yl)-[4-(2,4,6-trifluorophenyl)phenyl]silane
CID 90172221

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-5-[4-(2,4,6-trifluorophenyl)phenyl]benzene?
The IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-5-[4-(2,4,6-trifluorophenyl)phenyl]benzene (CID 18344232) is 2-(difluoromethoxy)-1,3-difluoro-5-[4-(2,4,6-trifluorophenyl)phenyl]benzene.
What is the SMILES notation for 2-(difluoromethoxy)-1,3-difluoro-5-[4-(2,4,6-trifluorophenyl)phenyl]benzene?
The canonical SMILES for 2-(difluoromethoxy)-1,3-difluoro-5-[4-(2,4,6-trifluorophenyl)phenyl]benzene is Fc1cc(F)c(-c2ccc(-c3cc(F)c(OC(F)F)c(F)c3)cc2)c(F)c1.
What is the InChIKey of 2-(difluoromethoxy)-1,3-difluoro-5-[4-(2,4,6-trifluorophenyl)phenyl]benzene?
The InChIKey is XLRNUCGGVHFHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F7O/c20-12-7-13(21)17(14(22)8-12)10-3-1-9(2-4-10)11-5-15(23)18(16(24)6-11)27-19(25)26/h1-8,19H.
What are the key properties of 2-(difluoromethoxy)-1,3-difluoro-5-[4-(2,4,6-trifluorophenyl)phenyl]benzene?
2-(difluoromethoxy)-1,3-difluoro-5-[4-(2,4,6-trifluorophenyl)phenyl]benzene has a molecular weight of 386.27 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1,3-difluoro-5-[4-(2,4,6-trifluorophenyl)phenyl]benzene is sourced from PubChem (CID 18344232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).