(3Z,5E)-5-fluoro-2,7,9,10-tetrahydro-1H-1-benzazonine

C12H14FN — CID 135193072

IUPAC(3Z,5E)-5-fluoro-2,7,9,10-tetrahydro-1H-1-benzazonine
SMILESFC1=C/CC2=CCCC=C2NC/C=C\1
InChIInChI=1S/C12H14FN/c13-11-5-3-9-14-12-6-2-1-4-10(12)7-8-11/h3-6,8,14H,1-2,7,9H2/b5-3-,11-8+
InChIKeyJJHOKXGELQWUOT-NJHUYJSNSA-N
MW191.25 g/mol
LogP2.99
Rot. Bonds

About (3Z,5E)-5-fluoro-2,7,9,10-tetrahydro-1H-1-benzazonine

(3Z,5E)-5-fluoro-2,7,9,10-tetrahydro-1H-1-benzazonine (PubChem CID 135193072) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is (3Z,5E)-5-fluoro-2,7,9,10-tetrahydro-1H-1-benzazonine.

Molecular Properties

Compound Name(3Z,5E)-5-fluoro-2,7,9,10-tetrahydro-1H-1-benzazonine
PubChem CID135193072
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name(3Z,5E)-5-fluoro-2,7,9,10-tetrahydro-1H-1-benzazonine
SMILESFC1=C/CC2=CCCC=C2NC/C=C\1
InChIInChI=1S/C12H14FN/c13-11-5-3-9-14-12-6-2-1-4-10(12)7-8-11/h3-6,8,14H,1-2,7,9H2/b5-3-,11-8+
InChIKeyJJHOKXGELQWUOT-NJHUYJSNSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-fluoro-2,7,9,10-tetrahydro-1H-1-benzazonine?
The IUPAC name of (3Z,5E)-5-fluoro-2,7,9,10-tetrahydro-1H-1-benzazonine (CID 135193072) is (3Z,5E)-5-fluoro-2,7,9,10-tetrahydro-1H-1-benzazonine.
What is the SMILES notation for (3Z,5E)-5-fluoro-2,7,9,10-tetrahydro-1H-1-benzazonine?
The canonical SMILES for (3Z,5E)-5-fluoro-2,7,9,10-tetrahydro-1H-1-benzazonine is FC1=C/CC2=CCCC=C2NC/C=C\1.
What is the InChIKey of (3Z,5E)-5-fluoro-2,7,9,10-tetrahydro-1H-1-benzazonine?
The InChIKey is JJHOKXGELQWUOT-NJHUYJSNSA-N. The full InChI is InChI=1S/C12H14FN/c13-11-5-3-9-14-12-6-2-1-4-10(12)7-8-11/h3-6,8,14H,1-2,7,9H2/b5-3-,11-8+.
What are the key properties of (3Z,5E)-5-fluoro-2,7,9,10-tetrahydro-1H-1-benzazonine?
(3Z,5E)-5-fluoro-2,7,9,10-tetrahydro-1H-1-benzazonine has a molecular weight of 191.25 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-fluoro-2,7,9,10-tetrahydro-1H-1-benzazonine is sourced from PubChem (CID 135193072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).