(5Z,7R)-7-fluoro-1,7-dimethyl-2,3,4,8-tetrahydroazocine

C9H16FN — CID 69192057

IUPAC(5Z,7R)-7-fluoro-1,7-dimethyl-2,3,4,8-tetrahydroazocine
SMILESCN1CCC/C=C\[C@@](C)(F)C1
InChIInChI=1S/C9H16FN/c1-9(10)6-4-3-5-7-11(2)8-9/h4,6H,3,5,7-8H2,1-2H3/b6-4-/t9-/m1/s1
InChIKeyGNOOPLKUXDEEON-XTULLQBASA-N
MW157.23 g/mol
LogP2.00
Rot. Bonds

About (5Z,7R)-7-fluoro-1,7-dimethyl-2,3,4,8-tetrahydroazocine

(5Z,7R)-7-fluoro-1,7-dimethyl-2,3,4,8-tetrahydroazocine (PubChem CID 69192057) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (5Z,7R)-7-fluoro-1,7-dimethyl-2,3,4,8-tetrahydroazocine.

Molecular Properties

Compound Name(5Z,7R)-7-fluoro-1,7-dimethyl-2,3,4,8-tetrahydroazocine
PubChem CID69192057
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(5Z,7R)-7-fluoro-1,7-dimethyl-2,3,4,8-tetrahydroazocine
SMILESCN1CCC/C=C\[C@@](C)(F)C1
InChIInChI=1S/C9H16FN/c1-9(10)6-4-3-5-7-11(2)8-9/h4,6H,3,5,7-8H2,1-2H3/b6-4-/t9-/m1/s1
InChIKeyGNOOPLKUXDEEON-XTULLQBASA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,7R)-7-fluoro-1,7-dimethyl-2,3,4,8-tetrahydroazocine?
The IUPAC name of (5Z,7R)-7-fluoro-1,7-dimethyl-2,3,4,8-tetrahydroazocine (CID 69192057) is (5Z,7R)-7-fluoro-1,7-dimethyl-2,3,4,8-tetrahydroazocine.
What is the SMILES notation for (5Z,7R)-7-fluoro-1,7-dimethyl-2,3,4,8-tetrahydroazocine?
The canonical SMILES for (5Z,7R)-7-fluoro-1,7-dimethyl-2,3,4,8-tetrahydroazocine is CN1CCC/C=C\[C@@](C)(F)C1.
What is the InChIKey of (5Z,7R)-7-fluoro-1,7-dimethyl-2,3,4,8-tetrahydroazocine?
The InChIKey is GNOOPLKUXDEEON-XTULLQBASA-N. The full InChI is InChI=1S/C9H16FN/c1-9(10)6-4-3-5-7-11(2)8-9/h4,6H,3,5,7-8H2,1-2H3/b6-4-/t9-/m1/s1.
What are the key properties of (5Z,7R)-7-fluoro-1,7-dimethyl-2,3,4,8-tetrahydroazocine?
(5Z,7R)-7-fluoro-1,7-dimethyl-2,3,4,8-tetrahydroazocine has a molecular weight of 157.23 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7R)-7-fluoro-1,7-dimethyl-2,3,4,8-tetrahydroazocine is sourced from PubChem (CID 69192057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).