[(3R)-1-[(1S,2R)-2-[(Z)-hex-2-enyl]-3-oxocyclopentyl]-5-phenylpentan-3-yl] hypofluorite

C22H31FO2 — CID 145298434

IUPAC[(3R)-1-[(1S,2R)-2-[(Z)-hex-2-enyl]-3-oxocyclopentyl]-5-phenylpentan-3-yl] hypofluorite
SMILESCCC/C=C\C[C@H]1C(=O)CC[C@@H]1CC[C@H](CCc1ccccc1)OF
InChIInChI=1S/C22H31FO2/c1-2-3-4-8-11-21-19(14-17-22(21)24)13-16-20(25-23)15-12-18-9-6-5-7-10-18/h4-10,19-21H,2-3,11-17H2,1H3/b8-4-/t19-,20-,21+/m0/s1
InChIKeyMGBZLBMWQIJKBM-YMGPWLLESA-N
MW346.49 g/mol
LogP6.01
Rot. Bonds11

About [(3R)-1-[(1S,2R)-2-[(Z)-hex-2-enyl]-3-oxocyclopentyl]-5-phenylpentan-3-yl] hypofluorite

[(3R)-1-[(1S,2R)-2-[(Z)-hex-2-enyl]-3-oxocyclopentyl]-5-phenylpentan-3-yl] hypofluorite (PubChem CID 145298434) has the molecular formula C22H31FO2 and a molecular weight of 346.49 g/mol. Its IUPAC name is [(3R)-1-[(1S,2R)-2-[(Z)-hex-2-enyl]-3-oxocyclopentyl]-5-phenylpentan-3-yl] hypofluorite.

Molecular Properties

Compound Name[(3R)-1-[(1S,2R)-2-[(Z)-hex-2-enyl]-3-oxocyclopentyl]-5-phenylpentan-3-yl] hypofluorite
PubChem CID145298434
Molecular FormulaC22H31FO2
Molecular Weight346.49 g/mol
Exact Mass346.23
IUPAC Name[(3R)-1-[(1S,2R)-2-[(Z)-hex-2-enyl]-3-oxocyclopentyl]-5-phenylpentan-3-yl] hypofluorite
SMILESCCC/C=C\C[C@H]1C(=O)CC[C@@H]1CC[C@H](CCc1ccccc1)OF
InChIInChI=1S/C22H31FO2/c1-2-3-4-8-11-21-19(14-17-22(21)24)13-16-20(25-23)15-12-18-9-6-5-7-10-18/h4-10,19-21H,2-3,11-17H2,1H3/b8-4-/t19-,20-,21+/m0/s1
InChIKeyMGBZLBMWQIJKBM-YMGPWLLESA-N
XLogP6.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.49
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(3R)-1-[(1S,2R)-2-[(Z)-hex-2-enyl]-3-oxocyclopentyl]-5-phenylpentan-3-yl] hypofluorite with MolForge

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Related Compounds

5-Methoxy-1,7-diphenyl-3-heptanone
CID 5319430
5-Hydroxy-1-phenyldecan-3-one
CID 57397938
5-Hydroxy-1-phenyldodecan-3-one
CID 137432120
(5s)-5-Methoxy-1,7-diphenylhept-3-one
CID 26437440
methyl (1S,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylate
CID 24982300
methyl (1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylate
CID 24982154
7-(3,5,6-Trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanol
CID 15230860
4-Methoxy-1,6-diphenylhexan-2-one
CID 24881816
6-Methoxy-1,8-diphenyloctan-4-one
CID 24881817
Valeric acid, 4-phenyl-, methyl ester
CID 570682
2-Methoxy-4-phenylcyclohexan-1-one
CID 19030151
(5r)-5-Methoxy-1,7-diphenylhept-3-one
CID 26437441

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(1S,2R)-2-[(Z)-hex-2-enyl]-3-oxocyclopentyl]-5-phenylpentan-3-yl] hypofluorite?
The IUPAC name of [(3R)-1-[(1S,2R)-2-[(Z)-hex-2-enyl]-3-oxocyclopentyl]-5-phenylpentan-3-yl] hypofluorite (CID 145298434) is [(3R)-1-[(1S,2R)-2-[(Z)-hex-2-enyl]-3-oxocyclopentyl]-5-phenylpentan-3-yl] hypofluorite.
What is the SMILES notation for [(3R)-1-[(1S,2R)-2-[(Z)-hex-2-enyl]-3-oxocyclopentyl]-5-phenylpentan-3-yl] hypofluorite?
The canonical SMILES for [(3R)-1-[(1S,2R)-2-[(Z)-hex-2-enyl]-3-oxocyclopentyl]-5-phenylpentan-3-yl] hypofluorite is CCC/C=C\C[C@H]1C(=O)CC[C@@H]1CC[C@H](CCc1ccccc1)OF.
What is the InChIKey of [(3R)-1-[(1S,2R)-2-[(Z)-hex-2-enyl]-3-oxocyclopentyl]-5-phenylpentan-3-yl] hypofluorite?
The InChIKey is MGBZLBMWQIJKBM-YMGPWLLESA-N. The full InChI is InChI=1S/C22H31FO2/c1-2-3-4-8-11-21-19(14-17-22(21)24)13-16-20(25-23)15-12-18-9-6-5-7-10-18/h4-10,19-21H,2-3,11-17H2,1H3/b8-4-/t19-,20-,21+/m0/s1.
What are the key properties of [(3R)-1-[(1S,2R)-2-[(Z)-hex-2-enyl]-3-oxocyclopentyl]-5-phenylpentan-3-yl] hypofluorite?
[(3R)-1-[(1S,2R)-2-[(Z)-hex-2-enyl]-3-oxocyclopentyl]-5-phenylpentan-3-yl] hypofluorite has a molecular weight of 346.49 g/mol, XLogP of 6.01, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(1S,2R)-2-[(Z)-hex-2-enyl]-3-oxocyclopentyl]-5-phenylpentan-3-yl] hypofluorite is sourced from PubChem (CID 145298434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).