2-[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-difluoro-6-propylnaphthalene

C28H18F10O2 — CID 90180262

IUPAC2-[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-difluoro-6-propylnaphthalene
SMILESCCCc1ccc2c(F)c(-c3ccc(C(F)(F)Oc4ccc(C(F)(F)OC(F)(F)F)cc4)c(F)c3)c(F)cc2c1
InChIInChI=1S/C28H18F10O2/c1-2-3-15-4-10-20-17(12-15)14-23(30)24(25(20)31)16-5-11-21(22(29)13-16)27(34,35)39-19-8-6-18(7-9-19)26(32,33)40-28(36,37)38/h4-14H,2-3H2,1H3
InChIKeyLUDDQLFHWNIPLK-UHFFFAOYSA-N
MW576.43 g/mol
LogP9.59
Rot. Bonds8

About 2-[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-difluoro-6-propylnaphthalene

2-[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-difluoro-6-propylnaphthalene (PubChem CID 90180262) has the molecular formula C28H18F10O2 and a molecular weight of 576.43 g/mol. Its IUPAC name is 2-[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-difluoro-6-propylnaphthalene.

Molecular Properties

Compound Name2-[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-difluoro-6-propylnaphthalene
PubChem CID90180262
Molecular FormulaC28H18F10O2
Molecular Weight576.43 g/mol
Exact Mass576.11
IUPAC Name2-[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-difluoro-6-propylnaphthalene
SMILESCCCc1ccc2c(F)c(-c3ccc(C(F)(F)Oc4ccc(C(F)(F)OC(F)(F)F)cc4)c(F)c3)c(F)cc2c1
InChIInChI=1S/C28H18F10O2/c1-2-3-15-4-10-20-17(12-15)14-23(30)24(25(20)31)16-5-11-21(22(29)13-16)27(34,35)39-19-8-6-18(7-9-19)26(32,33)40-28(36,37)38/h4-14H,2-3H2,1H3
InChIKeyLUDDQLFHWNIPLK-UHFFFAOYSA-N
XLogP9.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.43
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenyl]-1,3-difluorobenzene
CID 90179489
6-[difluoro-(2-fluoro-4-propylphenyl)methoxy]-1,2,3-trifluoronaphthalene
CID 139854299
2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-1-fluoro-6-propylnaphthalene
CID 90180289
5-[difluoro-[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-1,3-difluorobenzene
CID 90180139
6-[difluoro-(2-fluoro-4-pentylphenyl)methoxy]-1,2,3-trifluoronaphthalene
CID 139854272
5-[difluoro-[4-(4-propylphenyl)phenyl]methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-1,3-difluorobenzene
CID 90180290
5-[[4-[difluoro-[4-(4-propylphenyl)phenyl]methoxy]phenyl]-difluoromethoxy]-2-[difluoro(trifluoromethoxy)methyl]-1,3-difluorobenzene
CID 90180015
2-[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene
CID 90180260
2-[4-[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-6-propylnaphthalene
CID 90179625
5-[[4-[difluoro-(4-propylphenyl)methoxy]-2-fluorophenyl]-difluoromethoxy]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
CID 89280338
6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]phenyl]-1,2,3-trifluoronaphthalene
CID 134554711
2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-propylnaphthalene
CID 90180205

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-difluoro-6-propylnaphthalene?
The IUPAC name of 2-[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-difluoro-6-propylnaphthalene (CID 90180262) is 2-[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-difluoro-6-propylnaphthalene.
What is the SMILES notation for 2-[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-difluoro-6-propylnaphthalene?
The canonical SMILES for 2-[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-difluoro-6-propylnaphthalene is CCCc1ccc2c(F)c(-c3ccc(C(F)(F)Oc4ccc(C(F)(F)OC(F)(F)F)cc4)c(F)c3)c(F)cc2c1.
What is the InChIKey of 2-[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-difluoro-6-propylnaphthalene?
The InChIKey is LUDDQLFHWNIPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F10O2/c1-2-3-15-4-10-20-17(12-15)14-23(30)24(25(20)31)16-5-11-21(22(29)13-16)27(34,35)39-19-8-6-18(7-9-19)26(32,33)40-28(36,37)38/h4-14H,2-3H2,1H3.
What are the key properties of 2-[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-difluoro-6-propylnaphthalene?
2-[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-difluoro-6-propylnaphthalene has a molecular weight of 576.43 g/mol, XLogP of 9.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-difluoro-6-propylnaphthalene is sourced from PubChem (CID 90180262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).