5-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenyl]-1,3-difluorobenzene

C24H15F11O2 — CID 90179489

IUPAC5-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenyl]-1,3-difluorobenzene
SMILESCCCc1ccc(C(F)(F)Oc2cc(F)c(-c3ccc(C(F)(F)OC(F)(F)F)c(F)c3)c(F)c2)c(F)c1
InChIInChI=1S/C24H15F11O2/c1-2-3-12-4-6-15(17(25)8-12)22(29,30)36-14-10-19(27)21(20(28)11-14)13-5-7-16(18(26)9-13)23(31,32)37-24(33,34)35/h4-11H,2-3H2,1H3
InChIKeyJQCMIAJTJYSQEA-UHFFFAOYSA-N
MW544.36 g/mol
LogP8.58
Rot. Bonds8

About 5-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenyl]-1,3-difluorobenzene

5-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenyl]-1,3-difluorobenzene (PubChem CID 90179489) has the molecular formula C24H15F11O2 and a molecular weight of 544.36 g/mol. Its IUPAC name is 5-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name5-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenyl]-1,3-difluorobenzene
PubChem CID90179489
Molecular FormulaC24H15F11O2
Molecular Weight544.36 g/mol
Exact Mass544.09
IUPAC Name5-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenyl]-1,3-difluorobenzene
SMILESCCCc1ccc(C(F)(F)Oc2cc(F)c(-c3ccc(C(F)(F)OC(F)(F)F)c(F)c3)c(F)c2)c(F)c1
InChIInChI=1S/C24H15F11O2/c1-2-3-12-4-6-15(17(25)8-12)22(29,30)36-14-10-19(27)21(20(28)11-14)13-5-7-16(18(26)9-13)23(31,32)37-24(33,34)35/h4-11H,2-3H2,1H3
InChIKeyJQCMIAJTJYSQEA-UHFFFAOYSA-N
XLogP8.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.36
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[difluoro-[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-1,3-difluorobenzene
CID 90180139
5-[difluoro-[4-(4-propylphenyl)phenyl]methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-1,3-difluorobenzene
CID 90180290
2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3-fluorophenyl]-1,3-difluoro-5-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]benzene
CID 59329443
2-[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-difluoro-6-propylnaphthalene
CID 90180262
2-[[4-(3,4-difluorophenyl)-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-propylphenyl)benzene
CID 153438755
2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3-fluorophenyl]-1,3-difluoro-5-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]benzene
CID 59328015
2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-1-fluoro-6-propylnaphthalene
CID 90180289
2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-propylnaphthalene
CID 90180205
5-[difluoro-(2-fluoro-4-pentylphenyl)methoxy]-1,2,3-trifluorobenzene
CID 54461993
5-[difluoro-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]methoxy]-1,3-difluoro-2-(4-methylphenyl)benzene
CID 20705763
2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]-1,3-difluoro-5-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]benzene
CID 59329366
2-[4-[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-6-propylnaphthalene
CID 90179625

Frequently Asked Questions

What is the IUPAC name of 5-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenyl]-1,3-difluorobenzene?
The IUPAC name of 5-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenyl]-1,3-difluorobenzene (CID 90179489) is 5-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenyl]-1,3-difluorobenzene.
What is the SMILES notation for 5-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenyl]-1,3-difluorobenzene?
The canonical SMILES for 5-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenyl]-1,3-difluorobenzene is CCCc1ccc(C(F)(F)Oc2cc(F)c(-c3ccc(C(F)(F)OC(F)(F)F)c(F)c3)c(F)c2)c(F)c1.
What is the InChIKey of 5-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenyl]-1,3-difluorobenzene?
The InChIKey is JQCMIAJTJYSQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F11O2/c1-2-3-12-4-6-15(17(25)8-12)22(29,30)36-14-10-19(27)21(20(28)11-14)13-5-7-16(18(26)9-13)23(31,32)37-24(33,34)35/h4-11H,2-3H2,1H3.
What are the key properties of 5-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenyl]-1,3-difluorobenzene?
5-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenyl]-1,3-difluorobenzene has a molecular weight of 544.36 g/mol, XLogP of 8.58, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenyl]-1,3-difluorobenzene is sourced from PubChem (CID 90179489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).