6-methoxy-1-methyl-2-nitro-5-(trifluoromethyl)naphthalene

C13H10F3NO3 — CID 15614968

IUPAC6-methoxy-1-methyl-2-nitro-5-(trifluoromethyl)naphthalene
SMILESCOc1ccc2c(C)c([N+](=O)[O-])ccc2c1C(F)(F)F
InChIInChI=1S/C13H10F3NO3/c1-7-8-4-6-11(20-2)12(13(14,15)16)9(8)3-5-10(7)17(18)19/h3-6H,1-2H3
InChIKeyAFXMWRBHRSRNMP-UHFFFAOYSA-N
MW285.22 g/mol
LogP4.08
Rot. Bonds2

About 6-methoxy-1-methyl-2-nitro-5-(trifluoromethyl)naphthalene

6-methoxy-1-methyl-2-nitro-5-(trifluoromethyl)naphthalene (PubChem CID 15614968) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is 6-methoxy-1-methyl-2-nitro-5-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name6-methoxy-1-methyl-2-nitro-5-(trifluoromethyl)naphthalene
PubChem CID15614968
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Name6-methoxy-1-methyl-2-nitro-5-(trifluoromethyl)naphthalene
SMILESCOc1ccc2c(C)c([N+](=O)[O-])ccc2c1C(F)(F)F
InChIInChI=1S/C13H10F3NO3/c1-7-8-4-6-11(20-2)12(13(14,15)16)9(8)3-5-10(7)17(18)19/h3-6H,1-2H3
InChIKeyAFXMWRBHRSRNMP-UHFFFAOYSA-N
XLogP4.08
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-3-nitro-2-(trifluoromethyl)phenol
CID 71773097
6-methoxy-3-nitro-2-(trifluoromethyl)benzenesulfonyl chloride
CID 172969886
6-methoxy-2-methyl-3-nitrophenol
CID 10058181
3-bromo-1-methoxy-2-methyl-4-nitrobenzene
CID 53416656
2,3-dimethyl-1-nitro-4-(trifluoromethyl)benzene
CID 119006674
1-methoxy-3-nitro-2-(1,1,2,2,2-pentafluoroethyl)benzene
CID 99770396
[3-methyl-4-nitro-2-(trifluoromethyl)phenyl]methanol
CID 131328456
2-methoxy-1-nitro-4-(trifluoromethoxy)benzene
CID 53417127
2-tert-butyl-3-methoxy-6-nitrobenzaldehyde
CID 118609286
1-[2-methoxy-4-nitro-3-(trifluoromethyl)phenyl]ethanone
CID 171026183
2-fluoro-3-methyl-1-nitro-4-(trifluoromethoxy)benzene
CID 134620278
1-methoxy-2-nitro-4-(trifluoromethylsulfonyl)benzene
CID 1380916

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-2-nitro-5-(trifluoromethyl)naphthalene?
The IUPAC name of 6-methoxy-1-methyl-2-nitro-5-(trifluoromethyl)naphthalene (CID 15614968) is 6-methoxy-1-methyl-2-nitro-5-(trifluoromethyl)naphthalene.
What is the SMILES notation for 6-methoxy-1-methyl-2-nitro-5-(trifluoromethyl)naphthalene?
The canonical SMILES for 6-methoxy-1-methyl-2-nitro-5-(trifluoromethyl)naphthalene is COc1ccc2c(C)c([N+](=O)[O-])ccc2c1C(F)(F)F.
What is the InChIKey of 6-methoxy-1-methyl-2-nitro-5-(trifluoromethyl)naphthalene?
The InChIKey is AFXMWRBHRSRNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3/c1-7-8-4-6-11(20-2)12(13(14,15)16)9(8)3-5-10(7)17(18)19/h3-6H,1-2H3.
What are the key properties of 6-methoxy-1-methyl-2-nitro-5-(trifluoromethyl)naphthalene?
6-methoxy-1-methyl-2-nitro-5-(trifluoromethyl)naphthalene has a molecular weight of 285.22 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-2-nitro-5-(trifluoromethyl)naphthalene is sourced from PubChem (CID 15614968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).