2-[4-[(5,7-difluoro-6-propylnaphthalen-2-yl)oxy-difluoromethyl]-3,5-difluorophenyl]-5-methyloxane

C26H24F6O2 — CID 121367406

IUPAC2-[4-[(5,7-difluoro-6-propylnaphthalen-2-yl)oxy-difluoromethyl]-3,5-difluorophenyl]-5-methyloxane
SMILESCCCc1c(F)cc2cc(OC(F)(F)c3c(F)cc(C4CCC(C)CO4)cc3F)ccc2c1F
InChIInChI=1S/C26H24F6O2/c1-3-4-19-20(27)10-15-9-17(6-7-18(15)25(19)30)34-26(31,32)24-21(28)11-16(12-22(24)29)23-8-5-14(2)13-33-23/h6-7,9-12,14,23H,3-5,8,13H2,1-2H3
InChIKeyRLWNEVGQOXKORE-UHFFFAOYSA-N
MW482.46 g/mol
LogP7.96
Rot. Bonds6

About 2-[4-[(5,7-difluoro-6-propylnaphthalen-2-yl)oxy-difluoromethyl]-3,5-difluorophenyl]-5-methyloxane

2-[4-[(5,7-difluoro-6-propylnaphthalen-2-yl)oxy-difluoromethyl]-3,5-difluorophenyl]-5-methyloxane (PubChem CID 121367406) has the molecular formula C26H24F6O2 and a molecular weight of 482.46 g/mol. Its IUPAC name is 2-[4-[(5,7-difluoro-6-propylnaphthalen-2-yl)oxy-difluoromethyl]-3,5-difluorophenyl]-5-methyloxane.

Molecular Properties

Compound Name2-[4-[(5,7-difluoro-6-propylnaphthalen-2-yl)oxy-difluoromethyl]-3,5-difluorophenyl]-5-methyloxane
PubChem CID121367406
Molecular FormulaC26H24F6O2
Molecular Weight482.46 g/mol
Exact Mass482.17
IUPAC Name2-[4-[(5,7-difluoro-6-propylnaphthalen-2-yl)oxy-difluoromethyl]-3,5-difluorophenyl]-5-methyloxane
SMILESCCCc1c(F)cc2cc(OC(F)(F)c3c(F)cc(C4CCC(C)CO4)cc3F)ccc2c1F
InChIInChI=1S/C26H24F6O2/c1-3-4-19-20(27)10-15-9-17(6-7-18(15)25(19)30)34-26(31,32)24-21(28)11-16(12-22(24)29)23-8-5-14(2)13-33-23/h6-7,9-12,14,23H,3-5,8,13H2,1-2H3
InChIKeyRLWNEVGQOXKORE-UHFFFAOYSA-N
XLogP7.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.46
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[(5,7-difluoro-6-propylnaphthalen-2-yl)oxy-difluoromethyl]-3,5-difluorophenyl]-5-methyloxane with MolForge

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Related Compounds

2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methyloxane
CID 138468139
2-[4-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-methyloxane
CID 59289094
2-[4-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethyl]-3,5-difluorophenyl]-5-methyloxane
CID 138468518
2-[4-[4-[difluoro-[4-methyl-3-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3,5-dimethylphenyl]-5-methyloxane
CID 58756010
6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]phenyl]-1,2,3-trifluoronaphthalene
CID 134554711
6-[[2,6-difluoro-4-[(4-methylcyclohexyl)methoxy]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138468367
2-[4-[4-[[3,5-difluoro-4-(2-fluoroethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-methyloxane
CID 144978966
2-[4-[4-[[4-(3,5-difluoro-4-propylphenyl)-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane
CID 59329517
6-[[2,6-difluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluoronaphthalene
CID 134554735
2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene
CID 21049697
2-[4-[4-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-(propoxymethyl)oxane
CID 122500556
[5-[difluoro-[2-fluoro-4-[4-(5-methyloxan-2-yl)phenyl]-6-phosphanylphenyl]methoxy]-2,3-difluorophenyl]phosphane
CID 134375000

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5,7-difluoro-6-propylnaphthalen-2-yl)oxy-difluoromethyl]-3,5-difluorophenyl]-5-methyloxane?
The IUPAC name of 2-[4-[(5,7-difluoro-6-propylnaphthalen-2-yl)oxy-difluoromethyl]-3,5-difluorophenyl]-5-methyloxane (CID 121367406) is 2-[4-[(5,7-difluoro-6-propylnaphthalen-2-yl)oxy-difluoromethyl]-3,5-difluorophenyl]-5-methyloxane.
What is the SMILES notation for 2-[4-[(5,7-difluoro-6-propylnaphthalen-2-yl)oxy-difluoromethyl]-3,5-difluorophenyl]-5-methyloxane?
The canonical SMILES for 2-[4-[(5,7-difluoro-6-propylnaphthalen-2-yl)oxy-difluoromethyl]-3,5-difluorophenyl]-5-methyloxane is CCCc1c(F)cc2cc(OC(F)(F)c3c(F)cc(C4CCC(C)CO4)cc3F)ccc2c1F.
What is the InChIKey of 2-[4-[(5,7-difluoro-6-propylnaphthalen-2-yl)oxy-difluoromethyl]-3,5-difluorophenyl]-5-methyloxane?
The InChIKey is RLWNEVGQOXKORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F6O2/c1-3-4-19-20(27)10-15-9-17(6-7-18(15)25(19)30)34-26(31,32)24-21(28)11-16(12-22(24)29)23-8-5-14(2)13-33-23/h6-7,9-12,14,23H,3-5,8,13H2,1-2H3.
What are the key properties of 2-[4-[(5,7-difluoro-6-propylnaphthalen-2-yl)oxy-difluoromethyl]-3,5-difluorophenyl]-5-methyloxane?
2-[4-[(5,7-difluoro-6-propylnaphthalen-2-yl)oxy-difluoromethyl]-3,5-difluorophenyl]-5-methyloxane has a molecular weight of 482.46 g/mol, XLogP of 7.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5,7-difluoro-6-propylnaphthalen-2-yl)oxy-difluoromethyl]-3,5-difluorophenyl]-5-methyloxane is sourced from PubChem (CID 121367406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).