2-(3,5-difluoro-4-methylphenyl)-6-[difluoro-(2,4,6-trimethylphenyl)methoxy]naphthalene

C27H22F4O — CID 58755996

IUPAC2-(3,5-difluoro-4-methylphenyl)-6-[difluoro-(2,4,6-trimethylphenyl)methoxy]naphthalene
SMILESCc1cc(C)c(C(F)(F)Oc2ccc3cc(-c4cc(F)c(C)c(F)c4)ccc3c2)c(C)c1
InChIInChI=1S/C27H22F4O/c1-15-9-16(2)26(17(3)10-15)27(30,31)32-23-8-7-19-11-20(5-6-21(19)12-23)22-13-24(28)18(4)25(29)14-22/h5-14H,1-4H3
InChIKeyORPWWLLWZIGBQF-UHFFFAOYSA-N
MW438.46 g/mol
LogP8.15
Rot. Bonds4

About 2-(3,5-difluoro-4-methylphenyl)-6-[difluoro-(2,4,6-trimethylphenyl)methoxy]naphthalene

2-(3,5-difluoro-4-methylphenyl)-6-[difluoro-(2,4,6-trimethylphenyl)methoxy]naphthalene (PubChem CID 58755996) has the molecular formula C27H22F4O and a molecular weight of 438.46 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-methylphenyl)-6-[difluoro-(2,4,6-trimethylphenyl)methoxy]naphthalene.

Molecular Properties

Compound Name2-(3,5-difluoro-4-methylphenyl)-6-[difluoro-(2,4,6-trimethylphenyl)methoxy]naphthalene
PubChem CID58755996
Molecular FormulaC27H22F4O
Molecular Weight438.46 g/mol
Exact Mass438.16
IUPAC Name2-(3,5-difluoro-4-methylphenyl)-6-[difluoro-(2,4,6-trimethylphenyl)methoxy]naphthalene
SMILESCc1cc(C)c(C(F)(F)Oc2ccc3cc(-c4cc(F)c(C)c(F)c4)ccc3c2)c(C)c1
InChIInChI=1S/C27H22F4O/c1-15-9-16(2)26(17(3)10-15)27(30,31)32-23-8-7-19-11-20(5-6-21(19)12-23)22-13-24(28)18(4)25(29)14-22/h5-14H,1-4H3
InChIKeyORPWWLLWZIGBQF-UHFFFAOYSA-N
XLogP8.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.46
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-methylphenyl)-6-[difluoro-(2,4,6-trimethylphenyl)methoxy]naphthalene?
The IUPAC name of 2-(3,5-difluoro-4-methylphenyl)-6-[difluoro-(2,4,6-trimethylphenyl)methoxy]naphthalene (CID 58755996) is 2-(3,5-difluoro-4-methylphenyl)-6-[difluoro-(2,4,6-trimethylphenyl)methoxy]naphthalene.
What is the SMILES notation for 2-(3,5-difluoro-4-methylphenyl)-6-[difluoro-(2,4,6-trimethylphenyl)methoxy]naphthalene?
The canonical SMILES for 2-(3,5-difluoro-4-methylphenyl)-6-[difluoro-(2,4,6-trimethylphenyl)methoxy]naphthalene is Cc1cc(C)c(C(F)(F)Oc2ccc3cc(-c4cc(F)c(C)c(F)c4)ccc3c2)c(C)c1.
What is the InChIKey of 2-(3,5-difluoro-4-methylphenyl)-6-[difluoro-(2,4,6-trimethylphenyl)methoxy]naphthalene?
The InChIKey is ORPWWLLWZIGBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F4O/c1-15-9-16(2)26(17(3)10-15)27(30,31)32-23-8-7-19-11-20(5-6-21(19)12-23)22-13-24(28)18(4)25(29)14-22/h5-14H,1-4H3.
What are the key properties of 2-(3,5-difluoro-4-methylphenyl)-6-[difluoro-(2,4,6-trimethylphenyl)methoxy]naphthalene?
2-(3,5-difluoro-4-methylphenyl)-6-[difluoro-(2,4,6-trimethylphenyl)methoxy]naphthalene has a molecular weight of 438.46 g/mol, XLogP of 8.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-methylphenyl)-6-[difluoro-(2,4,6-trimethylphenyl)methoxy]naphthalene is sourced from PubChem (CID 58755996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).