(10S)-4-methoxy-17-(trifluoromethyl)-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5-triene

C18H22F3NO — CID 166677755

IUPAC(10S)-4-methoxy-17-(trifluoromethyl)-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5-triene
SMILESCOc1ccc2c(c1)C13CCCC[C@@]1(CC2)N(C(F)(F)F)CC3
InChIInChI=1S/C18H22F3NO/c1-23-14-5-4-13-6-9-17-8-3-2-7-16(17,15(13)12-14)10-11-22(17)18(19,20)21/h4-5,12H,2-3,6-11H2,1H3/t16?,17-/m0/s1
InChIKeyVUKUBRKSMYWSRR-DJNXLDHESA-N
MW325.37 g/mol
LogP4.42
Rot. Bonds1

About (10S)-4-methoxy-17-(trifluoromethyl)-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5-triene

(10S)-4-methoxy-17-(trifluoromethyl)-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5-triene (PubChem CID 166677755) has the molecular formula C18H22F3NO and a molecular weight of 325.37 g/mol. Its IUPAC name is (10S)-4-methoxy-17-(trifluoromethyl)-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5-triene.

Molecular Properties

Compound Name(10S)-4-methoxy-17-(trifluoromethyl)-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5-triene
PubChem CID166677755
Molecular FormulaC18H22F3NO
Molecular Weight325.37 g/mol
Exact Mass325.17
IUPAC Name(10S)-4-methoxy-17-(trifluoromethyl)-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5-triene
SMILESCOc1ccc2c(c1)C13CCCC[C@@]1(CC2)N(C(F)(F)F)CC3
InChIInChI=1S/C18H22F3NO/c1-23-14-5-4-13-6-9-17-8-3-2-7-16(17,15(13)12-14)10-11-22(17)18(19,20)21/h4-5,12H,2-3,6-11H2,1H3/t16?,17-/m0/s1
InChIKeyVUKUBRKSMYWSRR-DJNXLDHESA-N
XLogP4.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (10S)-4-methoxy-17-(trifluoromethyl)-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-12-octyl-12-azatetracyclo[8.4.4.01,10.02,7]octadeca-2(7),3,5-triene
CID 70512139
1-cyclopentyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374780
7-methoxy-1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 19784338
(1R,9S,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-10-ol
CID 24939833
2-(3-aminopropyl)-7-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-ol
CID 19983228
4-methoxy-14-methyl-14-azatetracyclo[8.4.4.01,10.02,7]octadeca-2(7),3,5-triene
CID 67946215
2,2,2-trifluoro-1-(4-methoxy-11-oxa-18-azapentacyclo[7.6.3.01,10.02,7.010,12]octadeca-2(7),3,5-trien-18-yl)ethanone
CID 21441708
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248291
1-(azepan-1-yl)-6-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 79371967
1-(3,3-dimethylbutyl)-6-methoxy-2,3-dihydroinden-1-amine
CID 79374434

Frequently Asked Questions

What is the IUPAC name of (10S)-4-methoxy-17-(trifluoromethyl)-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5-triene?
The IUPAC name of (10S)-4-methoxy-17-(trifluoromethyl)-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5-triene (CID 166677755) is (10S)-4-methoxy-17-(trifluoromethyl)-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5-triene.
What is the SMILES notation for (10S)-4-methoxy-17-(trifluoromethyl)-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5-triene?
The canonical SMILES for (10S)-4-methoxy-17-(trifluoromethyl)-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5-triene is COc1ccc2c(c1)C13CCCC[C@@]1(CC2)N(C(F)(F)F)CC3.
What is the InChIKey of (10S)-4-methoxy-17-(trifluoromethyl)-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5-triene?
The InChIKey is VUKUBRKSMYWSRR-DJNXLDHESA-N. The full InChI is InChI=1S/C18H22F3NO/c1-23-14-5-4-13-6-9-17-8-3-2-7-16(17,15(13)12-14)10-11-22(17)18(19,20)21/h4-5,12H,2-3,6-11H2,1H3/t16?,17-/m0/s1.
What are the key properties of (10S)-4-methoxy-17-(trifluoromethyl)-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5-triene?
(10S)-4-methoxy-17-(trifluoromethyl)-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5-triene has a molecular weight of 325.37 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-4-methoxy-17-(trifluoromethyl)-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5-triene is sourced from PubChem (CID 166677755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).