acetylene;ethane;1-(4-fluorophenyl)-4-[(2E,4Z)-hexa-2,4-dienyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-one

C30H39F2NO2 — CID 143425449

IUPACacetylene;ethane;1-(4-fluorophenyl)-4-[(2E,4Z)-hexa-2,4-dienyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-one
SMILESC#C.C/C=C\C=C\CC1CC(=O)N1c1ccc(F)cc1.CC.CC.CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO.C9H9FO.2C2H6.C2H2/c1-2-3-4-5-6-14-11-15(18)17(14)13-9-7-12(16)8-10-13;1-2-9(11)7-3-5-8(10)6-4-7;3*1-2/h2-5,7-10,14H,6,11H2,1H3;3-6H,2H2,1H3;2*1-2H3;1-2H/b3-2-,5-4+;;;;
InChIKeyOYZNOIVATIVVSK-XCFRJMIXSA-N
MW483.64 g/mol
LogP8.17
Rot. Bonds6

About acetylene;ethane;1-(4-fluorophenyl)-4-[(2E,4Z)-hexa-2,4-dienyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-one

acetylene;ethane;1-(4-fluorophenyl)-4-[(2E,4Z)-hexa-2,4-dienyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-one (PubChem CID 143425449) has the molecular formula C30H39F2NO2 and a molecular weight of 483.64 g/mol. Its IUPAC name is acetylene;ethane;1-(4-fluorophenyl)-4-[(2E,4Z)-hexa-2,4-dienyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Nameacetylene;ethane;1-(4-fluorophenyl)-4-[(2E,4Z)-hexa-2,4-dienyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-one
PubChem CID143425449
Molecular FormulaC30H39F2NO2
Molecular Weight483.64 g/mol
Exact Mass483.29
IUPAC Nameacetylene;ethane;1-(4-fluorophenyl)-4-[(2E,4Z)-hexa-2,4-dienyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-one
SMILESC#C.C/C=C\C=C\CC1CC(=O)N1c1ccc(F)cc1.CC.CC.CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO.C9H9FO.2C2H6.C2H2/c1-2-3-4-5-6-14-11-15(18)17(14)13-9-7-12(16)8-10-13;1-2-9(11)7-3-5-8(10)6-4-7;3*1-2/h2-5,7-10,14H,6,11H2,1H3;3-6H,2H2,1H3;2*1-2H3;1-2H/b3-2-,5-4+;;;;
InChIKeyOYZNOIVATIVVSK-XCFRJMIXSA-N
XLogP8.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.64
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;1-(4-fluorophenyl)propan-1-one
CID 145351703
4-tert-butyl-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512255
4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one
CID 104512227
1-[1-(4-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 171484231
1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one
CID 114065871
1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 55136659
S-[5-oxo-1-(4-propanoylphenyl)pyrrolidin-3-yl] ethanethioate
CID 168704828
1-(4-propanoylphenyl)piperidin-4-one
CID 83779934
1-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 7494455
ethane;(3R)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-hydroxyphenyl)azetidin-2-one
CID 143563275
1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110373855
1-(4-fluorophenyl)-4-hydroxy-2-phenyl-3-propanoyl-2H-pyrrol-5-one
CID 108638122

Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;1-(4-fluorophenyl)-4-[(2E,4Z)-hexa-2,4-dienyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-one?
The IUPAC name of acetylene;ethane;1-(4-fluorophenyl)-4-[(2E,4Z)-hexa-2,4-dienyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-one (CID 143425449) is acetylene;ethane;1-(4-fluorophenyl)-4-[(2E,4Z)-hexa-2,4-dienyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for acetylene;ethane;1-(4-fluorophenyl)-4-[(2E,4Z)-hexa-2,4-dienyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for acetylene;ethane;1-(4-fluorophenyl)-4-[(2E,4Z)-hexa-2,4-dienyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-one is C#C.C/C=C\C=C\CC1CC(=O)N1c1ccc(F)cc1.CC.CC.CCC(=O)c1ccc(F)cc1.
What is the InChIKey of acetylene;ethane;1-(4-fluorophenyl)-4-[(2E,4Z)-hexa-2,4-dienyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-one?
The InChIKey is OYZNOIVATIVVSK-XCFRJMIXSA-N. The full InChI is InChI=1S/C15H16FNO.C9H9FO.2C2H6.C2H2/c1-2-3-4-5-6-14-11-15(18)17(14)13-9-7-12(16)8-10-13;1-2-9(11)7-3-5-8(10)6-4-7;3*1-2/h2-5,7-10,14H,6,11H2,1H3;3-6H,2H2,1H3;2*1-2H3;1-2H/b3-2-,5-4+;;;;.
What are the key properties of acetylene;ethane;1-(4-fluorophenyl)-4-[(2E,4Z)-hexa-2,4-dienyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-one?
acetylene;ethane;1-(4-fluorophenyl)-4-[(2E,4Z)-hexa-2,4-dienyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-one has a molecular weight of 483.64 g/mol, XLogP of 8.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;1-(4-fluorophenyl)-4-[(2E,4Z)-hexa-2,4-dienyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 143425449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).