2-(fluoromethoxy)-7-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]heptanoic acid

C21H35FO4 — CID 54093746

IUPAC2-(fluoromethoxy)-7-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]heptanoic acid
SMILESCCCCCCC=C[C@H]1CCC(=O)[C@@H]1CCCCCC(OCF)C(=O)O
InChIInChI=1S/C21H35FO4/c1-2-3-4-5-6-8-11-17-14-15-19(23)18(17)12-9-7-10-13-20(21(24)25)26-16-22/h8,11,17-18,20H,2-7,9-10,12-16H2,1H3,(H,24,25)/t17-,18+,20?/m0/s1
InChIKeyMVQODBHNHZVAGH-IVAAQHKWSA-N
MW370.51 g/mol
LogP5.46
Rot. Bonds15

About 2-(fluoromethoxy)-7-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]heptanoic acid

2-(fluoromethoxy)-7-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]heptanoic acid (PubChem CID 54093746) has the molecular formula C21H35FO4 and a molecular weight of 370.51 g/mol. Its IUPAC name is 2-(fluoromethoxy)-7-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]heptanoic acid.

Molecular Properties

Compound Name2-(fluoromethoxy)-7-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]heptanoic acid
PubChem CID54093746
Molecular FormulaC21H35FO4
Molecular Weight370.51 g/mol
Exact Mass370.25
IUPAC Name2-(fluoromethoxy)-7-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]heptanoic acid
SMILESCCCCCCC=C[C@H]1CCC(=O)[C@@H]1CCCCCC(OCF)C(=O)O
InChIInChI=1S/C21H35FO4/c1-2-3-4-5-6-8-11-17-14-15-19(23)18(17)12-9-7-10-13-20(21(24)25)26-16-22/h8,11,17-18,20H,2-7,9-10,12-16H2,1H3,(H,24,25)/t17-,18+,20?/m0/s1
InChIKeyMVQODBHNHZVAGH-IVAAQHKWSA-N
XLogP5.46
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.51
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(fluoromethoxy)-7-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]heptanoic acid with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[4-[(1R)-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]butoxy]acetate
CID 90672528
ethyl 2-[4-[(1R)-2-[(E,3S)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]butoxy]acetate
CID 90672529
2-[4-[(1R)-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]butoxy]acetic acid
CID 90672530
2-[4-[(1R)-2-[(E,3S)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]butoxy]acetic acid
CID 90672531
ethyl 2-[4-[(1R)-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopentyl]butoxy]acetate
CID 90672546
2-[4-[(1R)-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopentyl]butoxy]acetic acid
CID 90672547
11-deoxy-10-hydroxyprostaglandin E1 methyl ester
CID 6443593
Dihydroxy-9-keto-prosta-5,13-dienoic acid
CID 54255430
(Z)-7-[(1S,2R)-2-[(3S)-2-fluoro-3-hydroxyoctyl]-3-methylidene-5-oxocyclopentyl]hept-5-enoic acid
CID 42606914
(Z)-7-[(1R,2R)-2-[(2R,3S)-2-fluoro-3-hydroxyoctyl]-3-methylidene-5-oxocyclopentyl]hept-5-enoic acid
CID 42606915
(Z)-7-[(1R,2R)-2-[(2S,3S)-2-fluoro-3-hydroxyoctyl]-3-methylidene-5-oxocyclopentyl]hept-5-enoic acid
CID 42606916
7-[(1R,2R)-2-(5,5-dimethyloct-1-enyl)-5-oxocyclopentyl]-2-fluoro-2-hydroxyheptanoic acid
CID 53647858

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethoxy)-7-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]heptanoic acid?
The IUPAC name of 2-(fluoromethoxy)-7-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]heptanoic acid (CID 54093746) is 2-(fluoromethoxy)-7-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]heptanoic acid.
What is the SMILES notation for 2-(fluoromethoxy)-7-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]heptanoic acid?
The canonical SMILES for 2-(fluoromethoxy)-7-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]heptanoic acid is CCCCCCC=C[C@H]1CCC(=O)[C@@H]1CCCCCC(OCF)C(=O)O.
What is the InChIKey of 2-(fluoromethoxy)-7-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]heptanoic acid?
The InChIKey is MVQODBHNHZVAGH-IVAAQHKWSA-N. The full InChI is InChI=1S/C21H35FO4/c1-2-3-4-5-6-8-11-17-14-15-19(23)18(17)12-9-7-10-13-20(21(24)25)26-16-22/h8,11,17-18,20H,2-7,9-10,12-16H2,1H3,(H,24,25)/t17-,18+,20?/m0/s1.
What are the key properties of 2-(fluoromethoxy)-7-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]heptanoic acid?
2-(fluoromethoxy)-7-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]heptanoic acid has a molecular weight of 370.51 g/mol, XLogP of 5.46, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethoxy)-7-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]heptanoic acid is sourced from PubChem (CID 54093746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).