17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;2,2,2-trifluoroacetic acid

C19H24F3NO3 — CID 76973205

IUPAC17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[2H]C([2H])([2H])N1CCC23CCCCC2C1Cc1ccc(O)cc13
InChIInChI=1S/C17H23NO.C2HF3O2/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17;3-2(4,5)1(6)7/h5-6,11,14,16,19H,2-4,7-10H2,1H3;(H,6,7)/i1D3;
InChIKeyPJSZRAVIIWQLIP-NIIDSAIPSA-N
MW374.42 g/mol
LogP3.71
Rot. Bonds1

About 17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;2,2,2-trifluoroacetic acid

17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;2,2,2-trifluoroacetic acid (PubChem CID 76973205) has the molecular formula C19H24F3NO3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;2,2,2-trifluoroacetic acid
PubChem CID76973205
Molecular FormulaC19H24F3NO3
Molecular Weight374.42 g/mol
Exact Mass374.19
IUPAC Name17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[2H]C([2H])([2H])N1CCC23CCCCC2C1Cc1ccc(O)cc13
InChIInChI=1S/C17H23NO.C2HF3O2/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17;3-2(4,5)1(6)7/h5-6,11,14,16,19H,2-4,7-10H2,1H3;(H,6,7)/i1D3;
InChIKeyPJSZRAVIIWQLIP-NIIDSAIPSA-N
XLogP3.71
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,9S)-17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 15972750
bis(2,2,3,3,4,4,4-heptafluorobutanoic acid);(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 87107683
(1S,9S,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 5390113
(9S,10S)-4-(difluoromethoxy)-17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 46220458
(1S,9S)-4-(trideuteriomethoxy)-17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 25157990
(1S,9S)-4-(deuteriomethoxy)-17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 153492506
(1S,10R)-4-(1,1,2,2,2-pentadeuterioethyl)-17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 88572599
1-(4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl)propan-2-one
CID 71439144
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
CID 118125341
(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)-2-(4-hydroxyphenyl)-N-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-5-yl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 175703921
2-[(1R,9R,10S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]acetic acid
CID 71283379

Frequently Asked Questions

What is the IUPAC name of 17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;2,2,2-trifluoroacetic acid (CID 76973205) is 17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.[2H]C([2H])([2H])N1CCC23CCCCC2C1Cc1ccc(O)cc13.
What is the InChIKey of 17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;2,2,2-trifluoroacetic acid?
The InChIKey is PJSZRAVIIWQLIP-NIIDSAIPSA-N. The full InChI is InChI=1S/C17H23NO.C2HF3O2/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17;3-2(4,5)1(6)7/h5-6,11,14,16,19H,2-4,7-10H2,1H3;(H,6,7)/i1D3;.
What are the key properties of 17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;2,2,2-trifluoroacetic acid?
17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;2,2,2-trifluoroacetic acid has a molecular weight of 374.42 g/mol, XLogP of 3.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 76973205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).