1,3-difluoro-2,8-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]naphthalene

C22H22F2 — CID 118908539

IUPAC1,3-difluoro-2,8-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]naphthalene
SMILESCc1cc(C)c(Cc2cc(C)c3c(F)c(C)c(F)cc3c2)c(C)c1
InChIInChI=1S/C22H22F2/c1-12-6-13(2)19(14(3)7-12)10-17-8-15(4)21-18(9-17)11-20(23)16(5)22(21)24/h6-9,11H,10H2,1-5H3
InChIKeyQRFLDDPUSRVVBN-UHFFFAOYSA-N
MW324.41 g/mol
LogP6.25
Rot. Bonds2

About 1,3-difluoro-2,8-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]naphthalene

1,3-difluoro-2,8-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]naphthalene (PubChem CID 118908539) has the molecular formula C22H22F2 and a molecular weight of 324.41 g/mol. Its IUPAC name is 1,3-difluoro-2,8-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]naphthalene.

Molecular Properties

Compound Name1,3-difluoro-2,8-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]naphthalene
PubChem CID118908539
Molecular FormulaC22H22F2
Molecular Weight324.41 g/mol
Exact Mass324.17
IUPAC Name1,3-difluoro-2,8-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]naphthalene
SMILESCc1cc(C)c(Cc2cc(C)c3c(F)c(C)c(F)cc3c2)c(C)c1
InChIInChI=1S/C22H22F2/c1-12-6-13(2)19(14(3)7-12)10-17-8-15(4)21-18(9-17)11-20(23)16(5)22(21)24/h6-9,11H,10H2,1-5H3
InChIKeyQRFLDDPUSRVVBN-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.41
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-[[2,6-dimethyl-4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]-1,3-difluoro-2,8-dimethylnaphthalene
CID 118908523
2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 150549971
1,3-difluoro-2,8-dimethyl-6-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]naphthalene
CID 118908520
2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene
CID 24763942
2-[(3,4-dimethylbenzene-5-id-1-yl)methyl]-1,3,5-trimethylbenzene;yttrium(3+)
CID 20599386
1,3-difluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene
CID 159450283
1,3-difluoro-2,6-dimethylnaphthalene;1-fluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene
CID 159577339
1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,4,5-trimethylbenzene
CID 153368730
6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-1,3,8-trifluoro-2-methylnaphthalene
CID 58755953
1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene
CID 170736464
ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene
CID 170736558
5-[(3,4-difluoro-5-methylphenyl)methyl]-1,2-difluoro-3-(4-methylphenyl)benzene
CID 144909514

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2,8-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]naphthalene?
The IUPAC name of 1,3-difluoro-2,8-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]naphthalene (CID 118908539) is 1,3-difluoro-2,8-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]naphthalene.
What is the SMILES notation for 1,3-difluoro-2,8-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]naphthalene?
The canonical SMILES for 1,3-difluoro-2,8-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]naphthalene is Cc1cc(C)c(Cc2cc(C)c3c(F)c(C)c(F)cc3c2)c(C)c1.
What is the InChIKey of 1,3-difluoro-2,8-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]naphthalene?
The InChIKey is QRFLDDPUSRVVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2/c1-12-6-13(2)19(14(3)7-12)10-17-8-15(4)21-18(9-17)11-20(23)16(5)22(21)24/h6-9,11H,10H2,1-5H3.
What are the key properties of 1,3-difluoro-2,8-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]naphthalene?
1,3-difluoro-2,8-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]naphthalene has a molecular weight of 324.41 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2,8-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]naphthalene is sourced from PubChem (CID 118908539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).