2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]cyclohexyl]-6-propylnaphthalene

C35H29F11O3 — CID 90180207

IUPAC2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]cyclohexyl]-6-propylnaphthalene
SMILESCCCc1ccc2cc(C3CCC(C(F)(F)Oc4cc(F)c(C(F)(F)Oc5ccc(C(F)(F)OC(F)(F)F)cc5)c(F)c4)CC3)ccc2c1
InChIInChI=1S/C35H29F11O3/c1-2-3-20-4-5-24-17-23(7-6-22(24)16-20)21-8-10-25(11-9-21)32(38,39)48-28-18-29(36)31(30(37)19-28)34(42,43)47-27-14-12-26(13-15-27)33(40,41)49-35(44,45)46/h4-7,12-19,21,25H,2-3,8-11H2,1H3
InChIKeyOHFNFVLZTASVBD-UHFFFAOYSA-N
MW706.59 g/mol
LogP11.73
Rot. Bonds11

About 2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]cyclohexyl]-6-propylnaphthalene

2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]cyclohexyl]-6-propylnaphthalene (PubChem CID 90180207) has the molecular formula C35H29F11O3 and a molecular weight of 706.59 g/mol. Its IUPAC name is 2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]cyclohexyl]-6-propylnaphthalene.

Molecular Properties

Compound Name2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]cyclohexyl]-6-propylnaphthalene
PubChem CID90180207
Molecular FormulaC35H29F11O3
Molecular Weight706.59 g/mol
Exact Mass706.19
IUPAC Name2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]cyclohexyl]-6-propylnaphthalene
SMILESCCCc1ccc2cc(C3CCC(C(F)(F)Oc4cc(F)c(C(F)(F)Oc5ccc(C(F)(F)OC(F)(F)F)cc5)c(F)c4)CC3)ccc2c1
InChIInChI=1S/C35H29F11O3/c1-2-3-20-4-5-24-17-23(7-6-22(24)16-20)21-8-10-25(11-9-21)32(38,39)48-28-18-29(36)31(30(37)19-28)34(42,43)47-27-14-12-26(13-15-27)33(40,41)49-35(44,45)46/h4-7,12-19,21,25H,2-3,8-11H2,1H3
InChIKeyOHFNFVLZTASVBD-UHFFFAOYSA-N
XLogP11.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.59
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene
CID 90180260
5-[[4-[difluoro-[4-(4-propylphenyl)phenyl]methoxy]phenyl]-difluoromethoxy]-2-[difluoro(trifluoromethoxy)methyl]-1,3-difluorobenzene
CID 90180015
2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenoxy]-difluoromethyl]cyclohexyl]-5-propyloxane
CID 90180284
2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-propylnaphthalene
CID 90180205
5-[difluoro-[4-(4-propylphenyl)phenyl]methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-1,3-difluorobenzene
CID 90180290
1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene
CID 59940202
2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-1-fluoro-6-propylnaphthalene
CID 90180289
5-[4-[difluoro-(4-propylcyclohexyl)methoxy]-2-fluorophenyl]-2-[difluoro(trifluoromethoxy)methyl]-1,3-difluorobenzene
CID 90179493
5-[[4-[difluoro-(4-propylphenyl)methoxy]-2-fluorophenyl]-difluoromethoxy]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
CID 89280338
2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]-3-fluorophenoxy]-difluoromethyl]cyclohexyl]-5-propyl-1,3-dioxane
CID 90180126
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene;1-(4-ethenylcyclohexyl)-4-methylbenzene
CID 144658294
1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-[difluoro-(4-propylphenyl)methoxy]benzene
CID 22011585

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]cyclohexyl]-6-propylnaphthalene?
The IUPAC name of 2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]cyclohexyl]-6-propylnaphthalene (CID 90180207) is 2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]cyclohexyl]-6-propylnaphthalene.
What is the SMILES notation for 2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]cyclohexyl]-6-propylnaphthalene?
The canonical SMILES for 2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]cyclohexyl]-6-propylnaphthalene is CCCc1ccc2cc(C3CCC(C(F)(F)Oc4cc(F)c(C(F)(F)Oc5ccc(C(F)(F)OC(F)(F)F)cc5)c(F)c4)CC3)ccc2c1.
What is the InChIKey of 2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]cyclohexyl]-6-propylnaphthalene?
The InChIKey is OHFNFVLZTASVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29F11O3/c1-2-3-20-4-5-24-17-23(7-6-22(24)16-20)21-8-10-25(11-9-21)32(38,39)48-28-18-29(36)31(30(37)19-28)34(42,43)47-27-14-12-26(13-15-27)33(40,41)49-35(44,45)46/h4-7,12-19,21,25H,2-3,8-11H2,1H3.
What are the key properties of 2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]cyclohexyl]-6-propylnaphthalene?
2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]cyclohexyl]-6-propylnaphthalene has a molecular weight of 706.59 g/mol, XLogP of 11.73, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]cyclohexyl]-6-propylnaphthalene is sourced from PubChem (CID 90180207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).