(Z)-8-[(1R,2R,3R,5S)-2-(3,3-difluoro-5-phenoxypent-1-enyl)-3,5-dihydroxycyclopentyl]oct-6-en-2-one

C24H32F2O4 — CID 162282565

IUPAC(Z)-8-[(1R,2R,3R,5S)-2-(3,3-difluoro-5-phenoxypent-1-enyl)-3,5-dihydroxycyclopentyl]oct-6-en-2-one
SMILESCC(=O)CCC/C=C\C[C@@H]1[C@@H](C=CC(F)(F)CCOc2ccccc2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C24H32F2O4/c1-18(27)9-5-2-3-8-12-20-21(23(29)17-22(20)28)13-14-24(25,26)15-16-30-19-10-6-4-7-11-19/h3-4,6-8,10-11,13-14,20-23,28-29H,2,5,9,12,15-17H2,1H3/b8-3-,14-13?/t20-,21-,22+,23-/m1/s1
InChIKeyQEIZVXMGVLUJEO-OEBXMZMASA-N
MW422.51 g/mol
LogP4.71
Rot. Bonds12

About (Z)-8-[(1R,2R,3R,5S)-2-(3,3-difluoro-5-phenoxypent-1-enyl)-3,5-dihydroxycyclopentyl]oct-6-en-2-one

(Z)-8-[(1R,2R,3R,5S)-2-(3,3-difluoro-5-phenoxypent-1-enyl)-3,5-dihydroxycyclopentyl]oct-6-en-2-one (PubChem CID 162282565) has the molecular formula C24H32F2O4 and a molecular weight of 422.51 g/mol. Its IUPAC name is (Z)-8-[(1R,2R,3R,5S)-2-(3,3-difluoro-5-phenoxypent-1-enyl)-3,5-dihydroxycyclopentyl]oct-6-en-2-one.

Molecular Properties

Compound Name(Z)-8-[(1R,2R,3R,5S)-2-(3,3-difluoro-5-phenoxypent-1-enyl)-3,5-dihydroxycyclopentyl]oct-6-en-2-one
PubChem CID162282565
Molecular FormulaC24H32F2O4
Molecular Weight422.51 g/mol
Exact Mass422.23
IUPAC Name(Z)-8-[(1R,2R,3R,5S)-2-(3,3-difluoro-5-phenoxypent-1-enyl)-3,5-dihydroxycyclopentyl]oct-6-en-2-one
SMILESCC(=O)CCC/C=C\C[C@@H]1[C@@H](C=CC(F)(F)CCOc2ccccc2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C24H32F2O4/c1-18(27)9-5-2-3-8-12-20-21(23(29)17-22(20)28)13-14-24(25,26)15-16-30-19-10-6-4-7-11-19/h3-4,6-8,10-11,13-14,20-23,28-29H,2,5,9,12,15-17H2,1H3/b8-3-,14-13?/t20-,21-,22+,23-/m1/s1
InChIKeyQEIZVXMGVLUJEO-OEBXMZMASA-N
XLogP4.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-8-[(1R,2R,3R,5S)-2-(3,3-difluoro-5-phenoxypent-1-enyl)-3,5-dihydroxycyclopentyl]oct-6-en-2-one with MolForge

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Launch Full Analysis

Related Compounds

(Z)-8-[(1R,2R,3R,5S)-2-(3,3-difluoropent-1-enyl)-3,5-dihydroxycyclopentyl]oct-6-en-2-one
CID 162283914
propan-2-yl (E)-7-[(1S,2S,3S,5R)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
CID 124935051
7-[(1R,2R,3R,5S)-2-(3,3-difluoro-5-phenylpent-1-enyl)-3,5-dihydroxycyclopentyl]-N-ethylhept-5-enamide
CID 123551425
(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluorooct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
CID 101367758
(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenoxypent-1-enyl]cyclopentyl]hept-5-enoic acid
CID 171042738
1-(2-prop-2-ynylpent-4-ynoxycarbonyloxy)ethyl (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
CID 129289259
[(2S)-2-[[2-(2-nitrooxyethoxy)acetyl]amino]propyl] (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
CID 122657737
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid;propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
CID 158452208
(E)-7-[(2R)-3,5-dihydroxy-2-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoic acid
CID 66509098
(Z)-7-[(1R,2R,5R)-3,5-dihydroxy-2-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoic acid
CID 70619350
propan-2-yl 7-[3,5-dihydroxy-2-(3-oxo-4-phenoxybut-1-enyl)cyclopentyl]hept-5-enoate
CID 123715851
[(3R,3aR,6R,6aR)-6-(5,6-dinitrooxyhexanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
CID 122657735

Frequently Asked Questions

What is the IUPAC name of (Z)-8-[(1R,2R,3R,5S)-2-(3,3-difluoro-5-phenoxypent-1-enyl)-3,5-dihydroxycyclopentyl]oct-6-en-2-one?
The IUPAC name of (Z)-8-[(1R,2R,3R,5S)-2-(3,3-difluoro-5-phenoxypent-1-enyl)-3,5-dihydroxycyclopentyl]oct-6-en-2-one (CID 162282565) is (Z)-8-[(1R,2R,3R,5S)-2-(3,3-difluoro-5-phenoxypent-1-enyl)-3,5-dihydroxycyclopentyl]oct-6-en-2-one.
What is the SMILES notation for (Z)-8-[(1R,2R,3R,5S)-2-(3,3-difluoro-5-phenoxypent-1-enyl)-3,5-dihydroxycyclopentyl]oct-6-en-2-one?
The canonical SMILES for (Z)-8-[(1R,2R,3R,5S)-2-(3,3-difluoro-5-phenoxypent-1-enyl)-3,5-dihydroxycyclopentyl]oct-6-en-2-one is CC(=O)CCC/C=C\C[C@@H]1[C@@H](C=CC(F)(F)CCOc2ccccc2)[C@H](O)C[C@@H]1O.
What is the InChIKey of (Z)-8-[(1R,2R,3R,5S)-2-(3,3-difluoro-5-phenoxypent-1-enyl)-3,5-dihydroxycyclopentyl]oct-6-en-2-one?
The InChIKey is QEIZVXMGVLUJEO-OEBXMZMASA-N. The full InChI is InChI=1S/C24H32F2O4/c1-18(27)9-5-2-3-8-12-20-21(23(29)17-22(20)28)13-14-24(25,26)15-16-30-19-10-6-4-7-11-19/h3-4,6-8,10-11,13-14,20-23,28-29H,2,5,9,12,15-17H2,1H3/b8-3-,14-13?/t20-,21-,22+,23-/m1/s1.
What are the key properties of (Z)-8-[(1R,2R,3R,5S)-2-(3,3-difluoro-5-phenoxypent-1-enyl)-3,5-dihydroxycyclopentyl]oct-6-en-2-one?
(Z)-8-[(1R,2R,3R,5S)-2-(3,3-difluoro-5-phenoxypent-1-enyl)-3,5-dihydroxycyclopentyl]oct-6-en-2-one has a molecular weight of 422.51 g/mol, XLogP of 4.71, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-[(1R,2R,3R,5S)-2-(3,3-difluoro-5-phenoxypent-1-enyl)-3,5-dihydroxycyclopentyl]oct-6-en-2-one is sourced from PubChem (CID 162282565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).