5-[4-[(2-chloro-3-fluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene

C20H8ClF9O — CID 144684832

IUPAC5-[4-[(2-chloro-3-fluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
SMILESFc1cc(OC(F)(F)c2cccc(F)c2Cl)ccc1-c1cc(F)c(C(F)(F)F)c(F)c1
InChIInChI=1S/C20H8ClF9O/c21-18-12(2-1-3-13(18)22)20(29,30)31-10-4-5-11(14(23)8-10)9-6-15(24)17(16(25)7-9)19(26,27)28/h1-8H
InChIKeyCEJJKQLSXKAELC-UHFFFAOYSA-N
MW470.72 g/mol
LogP7.71
Rot. Bonds4

About 5-[4-[(2-chloro-3-fluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene

5-[4-[(2-chloro-3-fluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene (PubChem CID 144684832) has the molecular formula C20H8ClF9O and a molecular weight of 470.72 g/mol. Its IUPAC name is 5-[4-[(2-chloro-3-fluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-[4-[(2-chloro-3-fluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
PubChem CID144684832
Molecular FormulaC20H8ClF9O
Molecular Weight470.72 g/mol
Exact Mass470.01
IUPAC Name5-[4-[(2-chloro-3-fluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
SMILESFc1cc(OC(F)(F)c2cccc(F)c2Cl)ccc1-c1cc(F)c(C(F)(F)F)c(F)c1
InChIInChI=1S/C20H8ClF9O/c21-18-12(2-1-3-13(18)22)20(29,30)31-10-4-5-11(14(23)8-10)9-6-15(24)17(16(25)7-9)19(26,27)28/h1-8H
InChIKeyCEJJKQLSXKAELC-UHFFFAOYSA-N
XLogP7.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.72
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3-fluoro-4-methylbenzene
CID 129159287
5-(2-chloro-6-fluorophenyl)-2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluorobenzene
CID 144554068
5-[difluoro-(2-fluorophenyl)methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 134474831
2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-propylphenyl)benzene
CID 58471577
2-[4-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluorophenyl]-5-methyl-1,3-dioxane
CID 129159527
5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene
CID 58738407
2-chloro-1-[difluoro-[3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenoxy]methyl]-3-fluoro-4-propylbenzene
CID 118592783
2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene
CID 20752077
4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorobenzaldehyde
CID 122500654
1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene
CID 118846513
5-(2,4-difluorophenyl)-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
CID 58738363
1-[difluoro-[3-fluoro-4-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]phenoxy]methyl]-2,3-difluoro-4-methylbenzene
CID 129159536

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-chloro-3-fluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 5-[4-[(2-chloro-3-fluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene (CID 144684832) is 5-[4-[(2-chloro-3-fluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 5-[4-[(2-chloro-3-fluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 5-[4-[(2-chloro-3-fluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene is Fc1cc(OC(F)(F)c2cccc(F)c2Cl)ccc1-c1cc(F)c(C(F)(F)F)c(F)c1.
What is the InChIKey of 5-[4-[(2-chloro-3-fluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene?
The InChIKey is CEJJKQLSXKAELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H8ClF9O/c21-18-12(2-1-3-13(18)22)20(29,30)31-10-4-5-11(14(23)8-10)9-6-15(24)17(16(25)7-9)19(26,27)28/h1-8H.
What are the key properties of 5-[4-[(2-chloro-3-fluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene?
5-[4-[(2-chloro-3-fluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene has a molecular weight of 470.72 g/mol, XLogP of 7.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-chloro-3-fluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 144684832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).