(1R,8R)-5-(4-fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene

C17H16FN — CID 122576815

IUPAC(1R,8R)-5-(4-fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
SMILESFc1ccc(-c2ccc3c(c2)[C@H]2C[C@H]3CCN2)cc1
InChIInChI=1S/C17H16FN/c18-14-4-1-11(2-5-14)12-3-6-15-13-7-8-19-17(10-13)16(15)9-12/h1-6,9,13,17,19H,7-8,10H2/t13-,17-/m1/s1
InChIKeyYRTVSDMZBLKNNE-CXAGYDPISA-N
MW253.32 g/mol
LogP4.01
Rot. Bonds1

About (1R,8R)-5-(4-fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene

(1R,8R)-5-(4-fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 122576815) has the molecular formula C17H16FN and a molecular weight of 253.32 g/mol. Its IUPAC name is (1R,8R)-5-(4-fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name(1R,8R)-5-(4-fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
PubChem CID122576815
Molecular FormulaC17H16FN
Molecular Weight253.32 g/mol
Exact Mass253.13
IUPAC Name(1R,8R)-5-(4-fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
SMILESFc1ccc(-c2ccc3c(c2)[C@H]2C[C@H]3CCN2)cc1
InChIInChI=1S/C17H16FN/c18-14-4-1-11(2-5-14)12-3-6-15-13-7-8-19-17(10-13)16(15)9-12/h1-6,9,13,17,19H,7-8,10H2/t13-,17-/m1/s1
InChIKeyYRTVSDMZBLKNNE-CXAGYDPISA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,8R)-5-(4-fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-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-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 14857735
4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile
CID 168965451
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103
9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride
CID 3059576
(2S)-2-(2-bromo-4-fluorophenyl)azetidine
CID 131131441
(1R,5S)-3-[2-ethyl-5-(4-fluorophenyl)phenyl]bicyclo[3.2.1]octane-2,4-dione
CID 91369697
(2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride
CID 171197171
2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine
CID 79016148
4-(2-methyl-1H-pyrrol-3-yl)-2-(4-phenylphenyl)piperidine
CID 70281320
CID 174947937
CID 174947937
2-[4-(4-cyclopropylphenyl)phenyl]-6-[4-(4-fluorophenyl)phenyl]naphthalene
CID 170293668
(3-chlorophenyl)-[(8R)-5-(4-fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-9-yl]methanone
CID 122577984

Frequently Asked Questions

What is the IUPAC name of (1R,8R)-5-(4-fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of (1R,8R)-5-(4-fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene (CID 122576815) is (1R,8R)-5-(4-fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for (1R,8R)-5-(4-fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for (1R,8R)-5-(4-fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene is Fc1ccc(-c2ccc3c(c2)[C@H]2C[C@H]3CCN2)cc1.
What is the InChIKey of (1R,8R)-5-(4-fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is YRTVSDMZBLKNNE-CXAGYDPISA-N. The full InChI is InChI=1S/C17H16FN/c18-14-4-1-11(2-5-14)12-3-6-15-13-7-8-19-17(10-13)16(15)9-12/h1-6,9,13,17,19H,7-8,10H2/t13-,17-/m1/s1.
What are the key properties of (1R,8R)-5-(4-fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
(1R,8R)-5-(4-fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 253.32 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-5-(4-fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 122576815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).