5-[(2,6-difluoro-4-methylphenyl)-difluoromethoxy]-2-(3,4,5-trimethylphenyl)oxane

C22H24F4O2 — CID 121442964

IUPAC5-[(2,6-difluoro-4-methylphenyl)-difluoromethoxy]-2-(3,4,5-trimethylphenyl)oxane
SMILESCc1cc(F)c(C(F)(F)OC2CCC(c3cc(C)c(C)c(C)c3)OC2)c(F)c1
InChIInChI=1S/C22H24F4O2/c1-12-7-18(23)21(19(24)8-12)22(25,26)28-17-5-6-20(27-11-17)16-9-13(2)15(4)14(3)10-16/h7-10,17,20H,5-6,11H2,1-4H3
InChIKeyGCGOJZHTDVVOOB-UHFFFAOYSA-N
MW396.42 g/mol
LogP6.18
Rot. Bonds4

About 5-[(2,6-difluoro-4-methylphenyl)-difluoromethoxy]-2-(3,4,5-trimethylphenyl)oxane

5-[(2,6-difluoro-4-methylphenyl)-difluoromethoxy]-2-(3,4,5-trimethylphenyl)oxane (PubChem CID 121442964) has the molecular formula C22H24F4O2 and a molecular weight of 396.42 g/mol. Its IUPAC name is 5-[(2,6-difluoro-4-methylphenyl)-difluoromethoxy]-2-(3,4,5-trimethylphenyl)oxane.

Molecular Properties

Compound Name5-[(2,6-difluoro-4-methylphenyl)-difluoromethoxy]-2-(3,4,5-trimethylphenyl)oxane
PubChem CID121442964
Molecular FormulaC22H24F4O2
Molecular Weight396.42 g/mol
Exact Mass396.17
IUPAC Name5-[(2,6-difluoro-4-methylphenyl)-difluoromethoxy]-2-(3,4,5-trimethylphenyl)oxane
SMILESCc1cc(F)c(C(F)(F)OC2CCC(c3cc(C)c(C)c(C)c3)OC2)c(F)c1
InChIInChI=1S/C22H24F4O2/c1-12-7-18(23)21(19(24)8-12)22(25,26)28-17-5-6-20(27-11-17)16-9-13(2)15(4)14(3)10-16/h7-10,17,20H,5-6,11H2,1-4H3
InChIKeyGCGOJZHTDVVOOB-UHFFFAOYSA-N
XLogP6.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.42
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]oxy-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-methylbenzene
CID 89285776
2-[4-[4-[difluoro-[4-methyl-3-(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-3,5-dimethylphenyl]-5-methyloxane
CID 58756010
2-[4-[difluoro-(3,4,5-trifluoro-2-methylphenoxy)methyl]-3,5-difluorophenyl]-5-pentyloxane
CID 140842991
2-(2,3-difluoro-5-methylphenyl)oxirane
CID 88927926
2-(2,6-difluoro-4-methylphenyl)oxirane
CID 121433123
2-[4-[4-[[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-methyloxane
CID 59289094
5-butyl-2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]oxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-ethyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-pentyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-propyloxane
CID 159304578
2-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenyl]-5-ethoxyoxane
CID 126764737
2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene
CID 21138534
2-[4-[4-[difluoro-(2,3,4-trifluoro-6-methylphenoxy)methyl]-3,5-difluorophenyl]phenyl]-5-propyloxane
CID 146254642
2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene
CID 21363214
2-[4-[4-[difluoro-(3-fluoro-4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane;bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);bis(2-[4-[4-[difluoro-(4-methylphenoxy)methyl]phenyl]-3,5-dimethylphenyl]-5-methyloxane);(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]benzoate;(3,5-difluoro-4-methylphenyl) 4-[2,6-dimethyl-4-(5-methyloxan-2-yl)phenyl]-2,6-difluorobenzoate
CID 158350758

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluoro-4-methylphenyl)-difluoromethoxy]-2-(3,4,5-trimethylphenyl)oxane?
The IUPAC name of 5-[(2,6-difluoro-4-methylphenyl)-difluoromethoxy]-2-(3,4,5-trimethylphenyl)oxane (CID 121442964) is 5-[(2,6-difluoro-4-methylphenyl)-difluoromethoxy]-2-(3,4,5-trimethylphenyl)oxane.
What is the SMILES notation for 5-[(2,6-difluoro-4-methylphenyl)-difluoromethoxy]-2-(3,4,5-trimethylphenyl)oxane?
The canonical SMILES for 5-[(2,6-difluoro-4-methylphenyl)-difluoromethoxy]-2-(3,4,5-trimethylphenyl)oxane is Cc1cc(F)c(C(F)(F)OC2CCC(c3cc(C)c(C)c(C)c3)OC2)c(F)c1.
What is the InChIKey of 5-[(2,6-difluoro-4-methylphenyl)-difluoromethoxy]-2-(3,4,5-trimethylphenyl)oxane?
The InChIKey is GCGOJZHTDVVOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4O2/c1-12-7-18(23)21(19(24)8-12)22(25,26)28-17-5-6-20(27-11-17)16-9-13(2)15(4)14(3)10-16/h7-10,17,20H,5-6,11H2,1-4H3.
What are the key properties of 5-[(2,6-difluoro-4-methylphenyl)-difluoromethoxy]-2-(3,4,5-trimethylphenyl)oxane?
5-[(2,6-difluoro-4-methylphenyl)-difluoromethoxy]-2-(3,4,5-trimethylphenyl)oxane has a molecular weight of 396.42 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluoro-4-methylphenyl)-difluoromethoxy]-2-(3,4,5-trimethylphenyl)oxane is sourced from PubChem (CID 121442964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).