(1S,9S,10R)-17-methyl-4-(trifluoromethoxy)-17-azatetracyclo[7.5.4.01,10.02,7]octadeca-2(7),3,5-triene

C19H24F3NO — CID 166958074

IUPAC(1S,9S,10R)-17-methyl-4-(trifluoromethoxy)-17-azatetracyclo[7.5.4.01,10.02,7]octadeca-2(7),3,5-triene
SMILESCN1CC[C@@]23CCCC[C@@H]2[C@H](Cc2ccc(OC(F)(F)F)cc23)C1
InChIInChI=1S/C19H24F3NO/c1-23-9-8-18-7-3-2-4-16(18)14(12-23)10-13-5-6-15(11-17(13)18)24-19(20,21)22/h5-6,11,14,16H,2-4,7-10,12H2,1H3/t14-,16-,18+/m1/s1
InChIKeyZHTCOYYDKAERLS-KYJSFNMBSA-N
MW339.40 g/mol
LogP4.52
Rot. Bonds1

About (1S,9S,10R)-17-methyl-4-(trifluoromethoxy)-17-azatetracyclo[7.5.4.01,10.02,7]octadeca-2(7),3,5-triene

(1S,9S,10R)-17-methyl-4-(trifluoromethoxy)-17-azatetracyclo[7.5.4.01,10.02,7]octadeca-2(7),3,5-triene (PubChem CID 166958074) has the molecular formula C19H24F3NO and a molecular weight of 339.40 g/mol. Its IUPAC name is (1S,9S,10R)-17-methyl-4-(trifluoromethoxy)-17-azatetracyclo[7.5.4.01,10.02,7]octadeca-2(7),3,5-triene.

Molecular Properties

Compound Name(1S,9S,10R)-17-methyl-4-(trifluoromethoxy)-17-azatetracyclo[7.5.4.01,10.02,7]octadeca-2(7),3,5-triene
PubChem CID166958074
Molecular FormulaC19H24F3NO
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name(1S,9S,10R)-17-methyl-4-(trifluoromethoxy)-17-azatetracyclo[7.5.4.01,10.02,7]octadeca-2(7),3,5-triene
SMILESCN1CC[C@@]23CCCC[C@@H]2[C@H](Cc2ccc(OC(F)(F)F)cc23)C1
InChIInChI=1S/C19H24F3NO/c1-23-9-8-18-7-3-2-4-16(18)14(12-23)10-13-5-6-15(11-17(13)18)24-19(20,21)22/h5-6,11,14,16H,2-4,7-10,12H2,1H3/t14-,16-,18+/m1/s1
InChIKeyZHTCOYYDKAERLS-KYJSFNMBSA-N
XLogP4.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,9R,10R)-17-methyl-4-(trifluoromethoxy)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 121267590
(1R,9S,10S)-17-methyl-4-(2,2,2-trifluoroethoxy)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 164702559
4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 3008
(1S,9S,10S)-4-(1,1-dideuterio-2,2,2-trifluoroethoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 175696604
(1R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrobromide
CID 44537559
(1R,9R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride
CID 163369553
(1S,9S,10S)-4-(dideuteriomethoxy)-17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;(1S,9S,10S)-17-(dideuteriomethyl)-4-(trideuteriomethoxy)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;(1S,9S,10S)-4-(difluoromethoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;(1S,9S,10S)-4-(difluoromethoxy)-17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;methane;(1S,9S,10S)-17-methyl-4-(trifluoromethoxy)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;(1S,9S,10S)-4-(trideuteriomethoxy)-17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;(1S,9S,10S)-17-(trideuteriomethyl)-4-(trifluoromethoxy)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 159484695
trimethyl-[[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]oxy]silane
CID 57362227
(1R,9R,10S)-17-methyl-4-propan-2-yloxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 15978502
2-[(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]ethanol
CID 177467537
(1R,9R,10R)-4-(cyclopropylmethoxy)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrobromide
CID 24848690
(1R,9R,10S)-4-methoxy-12,17-dimethyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 118583905

Frequently Asked Questions

What is the IUPAC name of (1S,9S,10R)-17-methyl-4-(trifluoromethoxy)-17-azatetracyclo[7.5.4.01,10.02,7]octadeca-2(7),3,5-triene?
The IUPAC name of (1S,9S,10R)-17-methyl-4-(trifluoromethoxy)-17-azatetracyclo[7.5.4.01,10.02,7]octadeca-2(7),3,5-triene (CID 166958074) is (1S,9S,10R)-17-methyl-4-(trifluoromethoxy)-17-azatetracyclo[7.5.4.01,10.02,7]octadeca-2(7),3,5-triene.
What is the SMILES notation for (1S,9S,10R)-17-methyl-4-(trifluoromethoxy)-17-azatetracyclo[7.5.4.01,10.02,7]octadeca-2(7),3,5-triene?
The canonical SMILES for (1S,9S,10R)-17-methyl-4-(trifluoromethoxy)-17-azatetracyclo[7.5.4.01,10.02,7]octadeca-2(7),3,5-triene is CN1CC[C@@]23CCCC[C@@H]2[C@H](Cc2ccc(OC(F)(F)F)cc23)C1.
What is the InChIKey of (1S,9S,10R)-17-methyl-4-(trifluoromethoxy)-17-azatetracyclo[7.5.4.01,10.02,7]octadeca-2(7),3,5-triene?
The InChIKey is ZHTCOYYDKAERLS-KYJSFNMBSA-N. The full InChI is InChI=1S/C19H24F3NO/c1-23-9-8-18-7-3-2-4-16(18)14(12-23)10-13-5-6-15(11-17(13)18)24-19(20,21)22/h5-6,11,14,16H,2-4,7-10,12H2,1H3/t14-,16-,18+/m1/s1.
What are the key properties of (1S,9S,10R)-17-methyl-4-(trifluoromethoxy)-17-azatetracyclo[7.5.4.01,10.02,7]octadeca-2(7),3,5-triene?
(1S,9S,10R)-17-methyl-4-(trifluoromethoxy)-17-azatetracyclo[7.5.4.01,10.02,7]octadeca-2(7),3,5-triene has a molecular weight of 339.40 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9S,10R)-17-methyl-4-(trifluoromethoxy)-17-azatetracyclo[7.5.4.01,10.02,7]octadeca-2(7),3,5-triene is sourced from PubChem (CID 166958074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).