5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene

C20H9ClF8O2 — CID 58738407

IUPAC5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene
SMILESFc1cc(Cl)ccc1-c1cc(F)c(C(F)(F)Oc2ccc(OC(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C20H9ClF8O2/c21-11-1-6-14(15(22)9-11)10-7-16(23)18(17(24)8-10)19(25,26)30-12-2-4-13(5-3-12)31-20(27,28)29/h1-9H
InChIKeyUVJUMLAONUKAMC-UHFFFAOYSA-N
MW468.73 g/mol
LogP7.45
Rot. Bonds5

About 5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene

5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene (PubChem CID 58738407) has the molecular formula C20H9ClF8O2 and a molecular weight of 468.73 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene
PubChem CID58738407
Molecular FormulaC20H9ClF8O2
Molecular Weight468.73 g/mol
Exact Mass468.02
IUPAC Name5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene
SMILESFc1cc(Cl)ccc1-c1cc(F)c(C(F)(F)Oc2ccc(OC(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C20H9ClF8O2/c21-11-1-6-14(15(22)9-11)10-7-16(23)18(17(24)8-10)19(25,26)30-12-2-4-13(5-3-12)31-20(27,28)29/h1-9H
InChIKeyUVJUMLAONUKAMC-UHFFFAOYSA-N
XLogP7.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.73
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-[[4-(3,4-difluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 58738372
2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene
CID 20752077
4-[4-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenol
CID 134241601
2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 175685533
5-(2,4-difluorophenyl)-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
CID 58738363
2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
5-(2-chloro-6-fluorophenyl)-2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluorobenzene
CID 144554068
5-chloro-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 58738373
4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorobenzaldehyde
CID 122500654
2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 134236074
4-[4-[[4-(4-cyano-2-fluorophenyl)-2,6-difluorophenyl]-difluoromethoxy]-2-fluorophenyl]-2,6-difluorobenzonitrile
CID 163388807
5-[4-[(2-chloro-3-fluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 144684832

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene (CID 58738407) is 5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene is Fc1cc(Cl)ccc1-c1cc(F)c(C(F)(F)Oc2ccc(OC(F)(F)F)cc2)c(F)c1.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene?
The InChIKey is UVJUMLAONUKAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9ClF8O2/c21-11-1-6-14(15(22)9-11)10-7-16(23)18(17(24)8-10)19(25,26)30-12-2-4-13(5-3-12)31-20(27,28)29/h1-9H.
What are the key properties of 5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene?
5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene has a molecular weight of 468.73 g/mol, XLogP of 7.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene is sourced from PubChem (CID 58738407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).