3-(4-fluoro-3-oxooctyl)-2-[(Z)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-one

C20H34FO3P — CID 59963451

IUPAC3-(4-fluoro-3-oxooctyl)-2-[(Z)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-one
SMILESCCCC/C=C\CC1C(=O)CC(OP)C1CCC(=O)C(F)CCCC
InChIInChI=1S/C20H34FO3P/c1-3-5-7-8-9-10-15-16(20(24-25)14-19(15)23)12-13-18(22)17(21)11-6-4-2/h8-9,15-17,20H,3-7,10-14,25H2,1-2H3/b9-8-
InChIKeyIFQMXQMEVGIYMT-HJWRWDBZSA-N
MW372.46 g/mol
LogP5.38
Rot. Bonds13

About 3-(4-fluoro-3-oxooctyl)-2-[(Z)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-one

3-(4-fluoro-3-oxooctyl)-2-[(Z)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-one (PubChem CID 59963451) has the molecular formula C20H34FO3P and a molecular weight of 372.46 g/mol. Its IUPAC name is 3-(4-fluoro-3-oxooctyl)-2-[(Z)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-one.

Molecular Properties

Compound Name3-(4-fluoro-3-oxooctyl)-2-[(Z)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-one
PubChem CID59963451
Molecular FormulaC20H34FO3P
Molecular Weight372.46 g/mol
Exact Mass372.22
IUPAC Name3-(4-fluoro-3-oxooctyl)-2-[(Z)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-one
SMILESCCCC/C=C\CC1C(=O)CC(OP)C1CCC(=O)C(F)CCCC
InChIInChI=1S/C20H34FO3P/c1-3-5-7-8-9-10-15-16(20(24-25)14-19(15)23)12-13-18(22)17(21)11-6-4-2/h8-9,15-17,20H,3-7,10-14,25H2,1-2H3/b9-8-
InChIKeyIFQMXQMEVGIYMT-HJWRWDBZSA-N
XLogP5.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(Z)-7-[(2R)-2-(4,4-difluoro-3-oxooctyl)-5-oxo-3-phosphanyloxycyclopentyl]hept-5-enoic acid
CID 59963482
[4-fluoro-1-[2-[(Z)-hept-2-enyl]-5-methyl-3-oxocyclopentyl]octan-3-yl]oxy-dimethylsilanylium
CID 91072701
(Z)-7-[(1R,2R,3R)-2-[(E,4S)-4-fluoro-3-oxooct-1-enyl]-3-methyl-5-oxocyclopentyl]hept-5-enoic acid
CID 88769163
(E)-7-[(1R,2R,3R)-2-[(4R)-4-fluoro-3-oxooct-1-enyl]-3-methyl-5-oxocyclopentyl]hept-5-enoic acid
CID 88769777
methyl 7-[(2R)-2-[2-[2-(5-methoxypentyl)-1,3-dioxolan-2-yl]ethyl]-5-oxo-3-phosphanyloxycyclopentyl]hept-5-enoate
CID 91073148
methyl 7-[(1R,3R)-5-oxo-2-(3-oxooctyl)-3-sulfanylcyclopentyl]hept-5-enoate
CID 123232448
7-[3-hydroxy-5-oxo-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid
CID 4307039
(Z)-7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid
CID 5280711
(Z)-7-[(1R,2R,3R)-3-ethoxy-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]-2-methoxyhept-5-enoic acid
CID 70251780
methyl (E)-7-[(2R)-5-oxo-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]-3-phosphanyloxycyclopentyl]hept-2-enoate
CID 59963395
CID 59963400
CID 59963400
propan-2-yl 7-[5-methoxy-3-oxo-2-(3-oxodecyl)cyclopentyl]hept-5-enoate
CID 123424292

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-oxooctyl)-2-[(Z)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-one?
The IUPAC name of 3-(4-fluoro-3-oxooctyl)-2-[(Z)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-one (CID 59963451) is 3-(4-fluoro-3-oxooctyl)-2-[(Z)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-one.
What is the SMILES notation for 3-(4-fluoro-3-oxooctyl)-2-[(Z)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-one?
The canonical SMILES for 3-(4-fluoro-3-oxooctyl)-2-[(Z)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-one is CCCC/C=C\CC1C(=O)CC(OP)C1CCC(=O)C(F)CCCC.
What is the InChIKey of 3-(4-fluoro-3-oxooctyl)-2-[(Z)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-one?
The InChIKey is IFQMXQMEVGIYMT-HJWRWDBZSA-N. The full InChI is InChI=1S/C20H34FO3P/c1-3-5-7-8-9-10-15-16(20(24-25)14-19(15)23)12-13-18(22)17(21)11-6-4-2/h8-9,15-17,20H,3-7,10-14,25H2,1-2H3/b9-8-.
What are the key properties of 3-(4-fluoro-3-oxooctyl)-2-[(Z)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-one?
3-(4-fluoro-3-oxooctyl)-2-[(Z)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-one has a molecular weight of 372.46 g/mol, XLogP of 5.38, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-oxooctyl)-2-[(Z)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-one is sourced from PubChem (CID 59963451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).