(6Z)-5-ethylidene-4-fluoro-6-methyl-7-propan-2-yl-3,4-dihydro-2H-azocine

C13H20FN — CID 174137830

IUPAC(6Z)-5-ethylidene-4-fluoro-6-methyl-7-propan-2-yl-3,4-dihydro-2H-azocine
SMILESCC=C1/C(C)=C(C(C)C)\C=N/CCC1F
InChIInChI=1S/C13H20FN/c1-5-11-10(4)12(9(2)3)8-15-7-6-13(11)14/h5,8-9,13H,6-7H2,1-4H3/b11-5?,12-10+,15-8-
InChIKeyMEZROLJEANJAIN-NYBXDSSGSA-N
MW209.31 g/mol
LogP3.72
Rot. Bonds1

About (6Z)-5-ethylidene-4-fluoro-6-methyl-7-propan-2-yl-3,4-dihydro-2H-azocine

(6Z)-5-ethylidene-4-fluoro-6-methyl-7-propan-2-yl-3,4-dihydro-2H-azocine (PubChem CID 174137830) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is (6Z)-5-ethylidene-4-fluoro-6-methyl-7-propan-2-yl-3,4-dihydro-2H-azocine.

Molecular Properties

Compound Name(6Z)-5-ethylidene-4-fluoro-6-methyl-7-propan-2-yl-3,4-dihydro-2H-azocine
PubChem CID174137830
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name(6Z)-5-ethylidene-4-fluoro-6-methyl-7-propan-2-yl-3,4-dihydro-2H-azocine
SMILESCC=C1/C(C)=C(C(C)C)\C=N/CCC1F
InChIInChI=1S/C13H20FN/c1-5-11-10(4)12(9(2)3)8-15-7-6-13(11)14/h5,8-9,13H,6-7H2,1-4H3/b11-5?,12-10+,15-8-
InChIKeyMEZROLJEANJAIN-NYBXDSSGSA-N
XLogP3.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6Z)-5-ethylidene-4-fluoro-6-methyl-7-propan-2-yl-3,4-dihydro-2H-azocine?
The IUPAC name of (6Z)-5-ethylidene-4-fluoro-6-methyl-7-propan-2-yl-3,4-dihydro-2H-azocine (CID 174137830) is (6Z)-5-ethylidene-4-fluoro-6-methyl-7-propan-2-yl-3,4-dihydro-2H-azocine.
What is the SMILES notation for (6Z)-5-ethylidene-4-fluoro-6-methyl-7-propan-2-yl-3,4-dihydro-2H-azocine?
The canonical SMILES for (6Z)-5-ethylidene-4-fluoro-6-methyl-7-propan-2-yl-3,4-dihydro-2H-azocine is CC=C1/C(C)=C(C(C)C)\C=N/CCC1F.
What is the InChIKey of (6Z)-5-ethylidene-4-fluoro-6-methyl-7-propan-2-yl-3,4-dihydro-2H-azocine?
The InChIKey is MEZROLJEANJAIN-NYBXDSSGSA-N. The full InChI is InChI=1S/C13H20FN/c1-5-11-10(4)12(9(2)3)8-15-7-6-13(11)14/h5,8-9,13H,6-7H2,1-4H3/b11-5?,12-10+,15-8-.
What are the key properties of (6Z)-5-ethylidene-4-fluoro-6-methyl-7-propan-2-yl-3,4-dihydro-2H-azocine?
(6Z)-5-ethylidene-4-fluoro-6-methyl-7-propan-2-yl-3,4-dihydro-2H-azocine has a molecular weight of 209.31 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-5-ethylidene-4-fluoro-6-methyl-7-propan-2-yl-3,4-dihydro-2H-azocine is sourced from PubChem (CID 174137830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).