(3Z,5Z)-1-butyl-8-fluoro-2,8-dimethyl-2,7-dihydroazonin-9-one

C14H22FNO — CID 126663067

IUPAC(3Z,5Z)-1-butyl-8-fluoro-2,8-dimethyl-2,7-dihydroazonin-9-one
SMILESCCCCN1C(=O)C(C)(F)C/C=C\C=C/C1C
InChIInChI=1S/C14H22FNO/c1-4-5-11-16-12(2)9-7-6-8-10-14(3,15)13(16)17/h6-9,12H,4-5,10-11H2,1-3H3/b8-6-,9-7-
InChIKeyFPUKNGVQRUDKDE-VRHVFUOLSA-N
MW239.33 g/mol
LogP3.25
Rot. Bonds3

About (3Z,5Z)-1-butyl-8-fluoro-2,8-dimethyl-2,7-dihydroazonin-9-one

(3Z,5Z)-1-butyl-8-fluoro-2,8-dimethyl-2,7-dihydroazonin-9-one (PubChem CID 126663067) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is (3Z,5Z)-1-butyl-8-fluoro-2,8-dimethyl-2,7-dihydroazonin-9-one.

Molecular Properties

Compound Name(3Z,5Z)-1-butyl-8-fluoro-2,8-dimethyl-2,7-dihydroazonin-9-one
PubChem CID126663067
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name(3Z,5Z)-1-butyl-8-fluoro-2,8-dimethyl-2,7-dihydroazonin-9-one
SMILESCCCCN1C(=O)C(C)(F)C/C=C\C=C/C1C
InChIInChI=1S/C14H22FNO/c1-4-5-11-16-12(2)9-7-6-8-10-14(3,15)13(16)17/h6-9,12H,4-5,10-11H2,1-3H3/b8-6-,9-7-
InChIKeyFPUKNGVQRUDKDE-VRHVFUOLSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-1-butyl-8-fluoro-2,8-dimethyl-2,7-dihydroazonin-9-one?
The IUPAC name of (3Z,5Z)-1-butyl-8-fluoro-2,8-dimethyl-2,7-dihydroazonin-9-one (CID 126663067) is (3Z,5Z)-1-butyl-8-fluoro-2,8-dimethyl-2,7-dihydroazonin-9-one.
What is the SMILES notation for (3Z,5Z)-1-butyl-8-fluoro-2,8-dimethyl-2,7-dihydroazonin-9-one?
The canonical SMILES for (3Z,5Z)-1-butyl-8-fluoro-2,8-dimethyl-2,7-dihydroazonin-9-one is CCCCN1C(=O)C(C)(F)C/C=C\C=C/C1C.
What is the InChIKey of (3Z,5Z)-1-butyl-8-fluoro-2,8-dimethyl-2,7-dihydroazonin-9-one?
The InChIKey is FPUKNGVQRUDKDE-VRHVFUOLSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-5-11-16-12(2)9-7-6-8-10-14(3,15)13(16)17/h6-9,12H,4-5,10-11H2,1-3H3/b8-6-,9-7-.
What are the key properties of (3Z,5Z)-1-butyl-8-fluoro-2,8-dimethyl-2,7-dihydroazonin-9-one?
(3Z,5Z)-1-butyl-8-fluoro-2,8-dimethyl-2,7-dihydroazonin-9-one has a molecular weight of 239.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-1-butyl-8-fluoro-2,8-dimethyl-2,7-dihydroazonin-9-one is sourced from PubChem (CID 126663067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).