[(4R,6R)-6-methyloct-7-en-4-yl] (2E,4Z)-2-fluorohepta-2,4,6-trienimidate

C16H24FNO — CID 146414995

IUPAC[(4R,6R)-6-methyloct-7-en-4-yl] (2E,4Z)-2-fluorohepta-2,4,6-trienimidate
SMILES[H]/N=C(O[C@H](CCC)C[C@@H](C)C=C)\C(F)=C/C=C\C=C
InChIInChI=1S/C16H24FNO/c1-5-8-9-11-15(17)16(18)19-14(10-6-2)12-13(4)7-3/h5,7-9,11,13-14,18H,1,3,6,10,12H2,2,4H3/b9-8-,15-11+,18-16+/t13-,14+/m0/s1
InChIKeySOCQMTCYYVQBAY-FOTDCXOZSA-N
MW265.37 g/mol
LogP4.96
Rot. Bonds9

About [(4R,6R)-6-methyloct-7-en-4-yl] (2E,4Z)-2-fluorohepta-2,4,6-trienimidate

[(4R,6R)-6-methyloct-7-en-4-yl] (2E,4Z)-2-fluorohepta-2,4,6-trienimidate (PubChem CID 146414995) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is [(4R,6R)-6-methyloct-7-en-4-yl] (2E,4Z)-2-fluorohepta-2,4,6-trienimidate.

Molecular Properties

Compound Name[(4R,6R)-6-methyloct-7-en-4-yl] (2E,4Z)-2-fluorohepta-2,4,6-trienimidate
PubChem CID146414995
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name[(4R,6R)-6-methyloct-7-en-4-yl] (2E,4Z)-2-fluorohepta-2,4,6-trienimidate
SMILES[H]/N=C(O[C@H](CCC)C[C@@H](C)C=C)\C(F)=C/C=C\C=C
InChIInChI=1S/C16H24FNO/c1-5-8-9-11-15(17)16(18)19-14(10-6-2)12-13(4)7-3/h5,7-9,11,13-14,18H,1,3,6,10,12H2,2,4H3/b9-8-,15-11+,18-16+/t13-,14+/m0/s1
InChIKeySOCQMTCYYVQBAY-FOTDCXOZSA-N
XLogP4.96
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 102380856
butyl 2-imino-2-propan-2-yloxyacetate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of [(4R,6R)-6-methyloct-7-en-4-yl] (2E,4Z)-2-fluorohepta-2,4,6-trienimidate?
The IUPAC name of [(4R,6R)-6-methyloct-7-en-4-yl] (2E,4Z)-2-fluorohepta-2,4,6-trienimidate (CID 146414995) is [(4R,6R)-6-methyloct-7-en-4-yl] (2E,4Z)-2-fluorohepta-2,4,6-trienimidate.
What is the SMILES notation for [(4R,6R)-6-methyloct-7-en-4-yl] (2E,4Z)-2-fluorohepta-2,4,6-trienimidate?
The canonical SMILES for [(4R,6R)-6-methyloct-7-en-4-yl] (2E,4Z)-2-fluorohepta-2,4,6-trienimidate is [H]/N=C(O[C@H](CCC)C[C@@H](C)C=C)\C(F)=C/C=C\C=C.
What is the InChIKey of [(4R,6R)-6-methyloct-7-en-4-yl] (2E,4Z)-2-fluorohepta-2,4,6-trienimidate?
The InChIKey is SOCQMTCYYVQBAY-FOTDCXOZSA-N. The full InChI is InChI=1S/C16H24FNO/c1-5-8-9-11-15(17)16(18)19-14(10-6-2)12-13(4)7-3/h5,7-9,11,13-14,18H,1,3,6,10,12H2,2,4H3/b9-8-,15-11+,18-16+/t13-,14+/m0/s1.
What are the key properties of [(4R,6R)-6-methyloct-7-en-4-yl] (2E,4Z)-2-fluorohepta-2,4,6-trienimidate?
[(4R,6R)-6-methyloct-7-en-4-yl] (2E,4Z)-2-fluorohepta-2,4,6-trienimidate has a molecular weight of 265.37 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R)-6-methyloct-7-en-4-yl] (2E,4Z)-2-fluorohepta-2,4,6-trienimidate is sourced from PubChem (CID 146414995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).