4-(4-fluorophenyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

C18H18FN — CID 54763746

IUPAC4-(4-fluorophenyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESFc1ccc(C2CCN3CCCc4cccc2c43)cc1
InChIInChI=1S/C18H18FN/c19-15-8-6-13(7-9-15)16-10-12-20-11-2-4-14-3-1-5-17(16)18(14)20/h1,3,5-9,16H,2,4,10-12H2
InChIKeyTZFIVZUNVJBARY-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.11
Rot. Bonds1

About 4-(4-fluorophenyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

4-(4-fluorophenyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 54763746) has the molecular formula C18H18FN and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
PubChem CID54763746
Molecular FormulaC18H18FN
Molecular Weight267.35 g/mol
Exact Mass267.14
IUPAC Name4-(4-fluorophenyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESFc1ccc(C2CCN3CCCc4cccc2c43)cc1
InChIInChI=1S/C18H18FN/c19-15-8-6-13(7-9-15)16-10-12-20-11-2-4-14-3-1-5-17(16)18(14)20/h1,3,5-9,16H,2,4,10-12H2
InChIKeyTZFIVZUNVJBARY-UHFFFAOYSA-N
XLogP4.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-2,6-difluorobenzamide
CID 3527307
7-methoxy-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 166441391
S-methyl N-[(4S)-4-(3-fluorophenyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl]carbamothioate
CID 143892518
2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-6-methylpyran-4-ylidene]propanedinitrile
CID 87314819
(2R,7R)-5,9-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene;dihydrochloride
CID 172765644
(4S)-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 118364510
10,14-diazatetracyclo[8.6.1.05,17.012,16]heptadeca-1,3,5(17)-triene;1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene
CID 162018965
1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-ylmethanamine
CID 82372261
(4S)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 118364458
4-[(4-fluorophenyl)methylsulfonyl]-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 110663231
(1S)-1-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 162577520
(5R)-5-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline
CID 91258411

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The IUPAC name of 4-(4-fluorophenyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 54763746) is 4-(4-fluorophenyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.
What is the SMILES notation for 4-(4-fluorophenyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The canonical SMILES for 4-(4-fluorophenyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is Fc1ccc(C2CCN3CCCc4cccc2c43)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The InChIKey is TZFIVZUNVJBARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN/c19-15-8-6-13(7-9-15)16-10-12-20-11-2-4-14-3-1-5-17(16)18(14)20/h1,3,5-9,16H,2,4,10-12H2.
What are the key properties of 4-(4-fluorophenyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
4-(4-fluorophenyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene has a molecular weight of 267.35 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 54763746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).