14,15-dichloro-4-methoxy-10-(trifluoromethyl)-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene

C16H12Cl2F3NO2 — CID 154954278

IUPAC14,15-dichloro-4-methoxy-10-(trifluoromethyl)-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
SMILESCOc1cc2c(cn1)COC(C(F)(F)F)Cc1cc(Cl)c(Cl)cc1-2
InChIInChI=1S/C16H12Cl2F3NO2/c1-23-15-5-11-9(6-22-15)7-24-14(16(19,20)21)3-8-2-12(17)13(18)4-10(8)11/h2,4-6,14H,3,7H2,1H3
InChIKeyLJOJCNWSDQNYBP-UHFFFAOYSA-N
MW378.18 g/mol
LogP5.07
Rot. Bonds1

About 14,15-dichloro-4-methoxy-10-(trifluoromethyl)-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene

14,15-dichloro-4-methoxy-10-(trifluoromethyl)-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene (PubChem CID 154954278) has the molecular formula C16H12Cl2F3NO2 and a molecular weight of 378.18 g/mol. Its IUPAC name is 14,15-dichloro-4-methoxy-10-(trifluoromethyl)-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene.

Molecular Properties

Compound Name14,15-dichloro-4-methoxy-10-(trifluoromethyl)-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
PubChem CID154954278
Molecular FormulaC16H12Cl2F3NO2
Molecular Weight378.18 g/mol
Exact Mass377.02
IUPAC Name14,15-dichloro-4-methoxy-10-(trifluoromethyl)-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
SMILESCOc1cc2c(cn1)COC(C(F)(F)F)Cc1cc(Cl)c(Cl)cc1-2
InChIInChI=1S/C16H12Cl2F3NO2/c1-23-15-5-11-9(6-22-15)7-24-14(16(19,20)21)3-8-2-12(17)13(18)4-10(8)11/h2,4-6,14H,3,7H2,1H3
InChIKeyLJOJCNWSDQNYBP-UHFFFAOYSA-N
XLogP5.07
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.18
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14,15-dichloro-4-methoxy-10-(trifluoromethyl)-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene with MolForge

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Related Compounds

15-chloro-10-ethyl-4-methoxy-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaene
CID 154954437
2-methoxy-4-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine
CID 134620746
2-methoxy-4-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine
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4-chloro-5-(difluoromethyl)-2-methoxypyridine
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(2Z)-2-(3-methoxy-6,7-dihydrocyclopenta[c]pyridin-5-ylidene)acetic acid
CID 155338382
4-chloro-5-iodo-2-methoxypyridine
CID 58204595
(6E)-6-(dimethylaminomethylidene)-3-methoxy-7,8-dihydroisoquinolin-5-one
CID 18180245
5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine
CID 175726727
4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine
CID 133090425
4-bromo-5-chloro-2-methoxypyridine
CID 70700260
2-[5-(2,3-dichlorophenyl)-2-methoxy-4-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 178074159
4-(3-chloro-2-fluorophenyl)-2,5-dimethoxypyridine
CID 175182286

Frequently Asked Questions

What is the IUPAC name of 14,15-dichloro-4-methoxy-10-(trifluoromethyl)-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene?
The IUPAC name of 14,15-dichloro-4-methoxy-10-(trifluoromethyl)-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene (CID 154954278) is 14,15-dichloro-4-methoxy-10-(trifluoromethyl)-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene.
What is the SMILES notation for 14,15-dichloro-4-methoxy-10-(trifluoromethyl)-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene?
The canonical SMILES for 14,15-dichloro-4-methoxy-10-(trifluoromethyl)-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene is COc1cc2c(cn1)COC(C(F)(F)F)Cc1cc(Cl)c(Cl)cc1-2.
What is the InChIKey of 14,15-dichloro-4-methoxy-10-(trifluoromethyl)-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene?
The InChIKey is LJOJCNWSDQNYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F3NO2/c1-23-15-5-11-9(6-22-15)7-24-14(16(19,20)21)3-8-2-12(17)13(18)4-10(8)11/h2,4-6,14H,3,7H2,1H3.
What are the key properties of 14,15-dichloro-4-methoxy-10-(trifluoromethyl)-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene?
14,15-dichloro-4-methoxy-10-(trifluoromethyl)-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene has a molecular weight of 378.18 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14,15-dichloro-4-methoxy-10-(trifluoromethyl)-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene is sourced from PubChem (CID 154954278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).