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

C28H19F9O2 — CID 90180260

IUPAC2-[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene
SMILESCCCc1ccc2cc(-c3ccc(C(F)(F)Oc4cc(F)c(C(F)(F)OC(F)(F)F)c(F)c4)cc3)ccc2c1
InChIInChI=1S/C28H19F9O2/c1-2-3-16-4-5-20-13-19(7-6-18(20)12-16)17-8-10-21(11-9-17)26(31,32)38-22-14-23(29)25(24(30)15-22)27(33,34)39-28(35,36)37/h4-15H,2-3H2,1H3
InChIKeyFTSDHFBPLUMXLP-UHFFFAOYSA-N
MW558.44 g/mol
LogP9.45
Rot. Bonds8

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

2-[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene (PubChem CID 90180260) has the molecular formula C28H19F9O2 and a molecular weight of 558.44 g/mol. Its IUPAC name is 2-[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene.

Molecular Properties

Compound Name2-[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene
PubChem CID90180260
Molecular FormulaC28H19F9O2
Molecular Weight558.44 g/mol
Exact Mass558.12
IUPAC Name2-[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene
SMILESCCCc1ccc2cc(-c3ccc(C(F)(F)Oc4cc(F)c(C(F)(F)OC(F)(F)F)c(F)c4)cc3)ccc2c1
InChIInChI=1S/C28H19F9O2/c1-2-3-16-4-5-20-13-19(7-6-18(20)12-16)17-8-10-21(11-9-17)26(31,32)38-22-14-23(29)25(24(30)15-22)27(33,34)39-28(35,36)37/h4-15H,2-3H2,1H3
InChIKeyFTSDHFBPLUMXLP-UHFFFAOYSA-N
XLogP9.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.44
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene with MolForge

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Related Compounds

2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-6-propylnaphthalene
CID 90180205
5-[[4-[difluoro-[4-(4-propylphenyl)phenyl]methoxy]phenyl]-difluoromethoxy]-2-[difluoro(trifluoromethoxy)methyl]-1,3-difluorobenzene
CID 90180015
5-[difluoro-[4-(4-propylphenyl)phenyl]methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-1,3-difluorobenzene
CID 90180290
2-[4-[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-6-propylnaphthalene
CID 90179625
5-[difluoro-[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]methoxy]-2-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-1,3-difluorobenzene
CID 90180139
2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 90179440
2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
CID 90179530
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 20654145
2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]cyclohexyl]-6-propylnaphthalene
CID 90180207
[4-[[2,6-difluoro-4-(4-propylphenyl)phenyl]-difluoromethoxy]-2,6-difluorophenyl]phosphane
CID 130462382
2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-1-fluoro-6-propylnaphthalene
CID 90180289
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]benzene
CID 159111708

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene?
The IUPAC name of 2-[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene (CID 90180260) is 2-[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene.
What is the SMILES notation for 2-[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene?
The canonical SMILES for 2-[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene is CCCc1ccc2cc(-c3ccc(C(F)(F)Oc4cc(F)c(C(F)(F)OC(F)(F)F)c(F)c4)cc3)ccc2c1.
What is the InChIKey of 2-[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene?
The InChIKey is FTSDHFBPLUMXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F9O2/c1-2-3-16-4-5-20-13-19(7-6-18(20)12-16)17-8-10-21(11-9-17)26(31,32)38-22-14-23(29)25(24(30)15-22)27(33,34)39-28(35,36)37/h4-15H,2-3H2,1H3.
What are the key properties of 2-[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene?
2-[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene has a molecular weight of 558.44 g/mol, XLogP of 9.45, 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]-3,5-difluorophenoxy]-difluoromethyl]phenyl]-6-propylnaphthalene is sourced from PubChem (CID 90180260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).