2-[(2E,4Z)-6-fluoro-6-methylhepta-2,4-dien-3-yl]-5-methyl-1,3,4-oxadiazole

C11H15FN2O — CID 143331096

IUPAC2-[(2E,4Z)-6-fluoro-6-methylhepta-2,4-dien-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESC/C=C(\C=C/C(C)(C)F)c1nnc(C)o1
InChIInChI=1S/C11H15FN2O/c1-5-9(6-7-11(3,4)12)10-14-13-8(2)15-10/h5-7H,1-4H3/b7-6-,9-5+
InChIKeyMQTNIQKGMRVWJP-QRLJIZSYSA-N
MW210.25 g/mol
LogP3.09
Rot. Bonds3

About 2-[(2E,4Z)-6-fluoro-6-methylhepta-2,4-dien-3-yl]-5-methyl-1,3,4-oxadiazole

2-[(2E,4Z)-6-fluoro-6-methylhepta-2,4-dien-3-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 143331096) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-[(2E,4Z)-6-fluoro-6-methylhepta-2,4-dien-3-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2E,4Z)-6-fluoro-6-methylhepta-2,4-dien-3-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID143331096
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name2-[(2E,4Z)-6-fluoro-6-methylhepta-2,4-dien-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESC/C=C(\C=C/C(C)(C)F)c1nnc(C)o1
InChIInChI=1S/C11H15FN2O/c1-5-9(6-7-11(3,4)12)10-14-13-8(2)15-10/h5-7H,1-4H3/b7-6-,9-5+
InChIKeyMQTNIQKGMRVWJP-QRLJIZSYSA-N
XLogP3.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-6-fluoro-6-methylhepta-2,4-dien-3-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2E,4Z)-6-fluoro-6-methylhepta-2,4-dien-3-yl]-5-methyl-1,3,4-oxadiazole (CID 143331096) is 2-[(2E,4Z)-6-fluoro-6-methylhepta-2,4-dien-3-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2E,4Z)-6-fluoro-6-methylhepta-2,4-dien-3-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2E,4Z)-6-fluoro-6-methylhepta-2,4-dien-3-yl]-5-methyl-1,3,4-oxadiazole is C/C=C(\C=C/C(C)(C)F)c1nnc(C)o1.
What is the InChIKey of 2-[(2E,4Z)-6-fluoro-6-methylhepta-2,4-dien-3-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is MQTNIQKGMRVWJP-QRLJIZSYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-5-9(6-7-11(3,4)12)10-14-13-8(2)15-10/h5-7H,1-4H3/b7-6-,9-5+.
What are the key properties of 2-[(2E,4Z)-6-fluoro-6-methylhepta-2,4-dien-3-yl]-5-methyl-1,3,4-oxadiazole?
2-[(2E,4Z)-6-fluoro-6-methylhepta-2,4-dien-3-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 210.25 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-6-fluoro-6-methylhepta-2,4-dien-3-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 143331096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).