(2Z,4Z,6Z)-2-(4-fluorophenyl)-8-methoxy-1-benzazocine

C18H14FNO — CID 11652040

IUPAC(2Z,4Z,6Z)-2-(4-fluorophenyl)-8-methoxy-1-benzazocine
SMILESCOc1ccc2/c(c1)=C\C=C/C=C(c1ccc(F)cc1)\N=2
InChIInChI=1S/C18H14FNO/c1-21-16-10-11-18-14(12-16)4-2-3-5-17(20-18)13-6-8-15(19)9-7-13/h2-12H,1H3/b3-2-,4-2-,5-3-,14-4-,17-5-,20-17+,20-18-
InChIKeyIUYWVMCSBCAOFU-AZZQBHEYSA-N
MW279.31 g/mol
LogP2.85
Rot. Bonds2

About (2Z,4Z,6Z)-2-(4-fluorophenyl)-8-methoxy-1-benzazocine

(2Z,4Z,6Z)-2-(4-fluorophenyl)-8-methoxy-1-benzazocine (PubChem CID 11652040) has the molecular formula C18H14FNO and a molecular weight of 279.31 g/mol. Its IUPAC name is (2Z,4Z,6Z)-2-(4-fluorophenyl)-8-methoxy-1-benzazocine.

Molecular Properties

Compound Name(2Z,4Z,6Z)-2-(4-fluorophenyl)-8-methoxy-1-benzazocine
PubChem CID11652040
Molecular FormulaC18H14FNO
Molecular Weight279.31 g/mol
Exact Mass279.11
IUPAC Name(2Z,4Z,6Z)-2-(4-fluorophenyl)-8-methoxy-1-benzazocine
SMILESCOc1ccc2/c(c1)=C\C=C/C=C(c1ccc(F)cc1)\N=2
InChIInChI=1S/C18H14FNO/c1-21-16-10-11-18-14(12-16)4-2-3-5-17(20-18)13-6-8-15(19)9-7-13/h2-12H,1H3/b3-2-,4-2-,5-3-,14-4-,17-5-,20-17+,20-18-
InChIKeyIUYWVMCSBCAOFU-AZZQBHEYSA-N
XLogP2.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z)-2-(4-fluorophenyl)-8-methoxy-1-benzazocine?
The IUPAC name of (2Z,4Z,6Z)-2-(4-fluorophenyl)-8-methoxy-1-benzazocine (CID 11652040) is (2Z,4Z,6Z)-2-(4-fluorophenyl)-8-methoxy-1-benzazocine.
What is the SMILES notation for (2Z,4Z,6Z)-2-(4-fluorophenyl)-8-methoxy-1-benzazocine?
The canonical SMILES for (2Z,4Z,6Z)-2-(4-fluorophenyl)-8-methoxy-1-benzazocine is COc1ccc2/c(c1)=C\C=C/C=C(c1ccc(F)cc1)\N=2.
What is the InChIKey of (2Z,4Z,6Z)-2-(4-fluorophenyl)-8-methoxy-1-benzazocine?
The InChIKey is IUYWVMCSBCAOFU-AZZQBHEYSA-N. The full InChI is InChI=1S/C18H14FNO/c1-21-16-10-11-18-14(12-16)4-2-3-5-17(20-18)13-6-8-15(19)9-7-13/h2-12H,1H3/b3-2-,4-2-,5-3-,14-4-,17-5-,20-17+,20-18-.
What are the key properties of (2Z,4Z,6Z)-2-(4-fluorophenyl)-8-methoxy-1-benzazocine?
(2Z,4Z,6Z)-2-(4-fluorophenyl)-8-methoxy-1-benzazocine has a molecular weight of 279.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-2-(4-fluorophenyl)-8-methoxy-1-benzazocine is sourced from PubChem (CID 11652040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).