[(1S,2R,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl]oxymethylbenzene

C17H25FO5 — CID 18634439

IUPAC[(1S,2R,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl]oxymethylbenzene
SMILESCOCOC[C@H]1C[C@H](OCc2ccccc2)[C@@H](F)[C@@H]1OCOC
InChIInChI=1S/C17H25FO5/c1-19-11-21-10-14-8-15(16(18)17(14)23-12-20-2)22-9-13-6-4-3-5-7-13/h3-7,14-17H,8-12H2,1-2H3/t14-,15+,16-,17-/m1/s1
InChIKeyPVCHVIWIHLLHQI-YYIAUSFCSA-N
MW328.38 g/mol
LogP2.54
Rot. Bonds10

About [(1S,2R,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl]oxymethylbenzene

[(1S,2R,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl]oxymethylbenzene (PubChem CID 18634439) has the molecular formula C17H25FO5 and a molecular weight of 328.38 g/mol. Its IUPAC name is [(1S,2R,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl]oxymethylbenzene.

Molecular Properties

Compound Name[(1S,2R,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl]oxymethylbenzene
PubChem CID18634439
Molecular FormulaC17H25FO5
Molecular Weight328.38 g/mol
Exact Mass328.17
IUPAC Name[(1S,2R,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl]oxymethylbenzene
SMILESCOCOC[C@H]1C[C@H](OCc2ccccc2)[C@@H](F)[C@@H]1OCOC
InChIInChI=1S/C17H25FO5/c1-19-11-21-10-14-8-15(16(18)17(14)23-12-20-2)22-9-13-6-4-3-5-7-13/h3-7,14-17H,8-12H2,1-2H3/t14-,15+,16-,17-/m1/s1
InChIKeyPVCHVIWIHLLHQI-YYIAUSFCSA-N
XLogP2.54
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(1S,2R,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl]oxymethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl]oxymethylbenzene?
The IUPAC name of [(1S,2R,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl]oxymethylbenzene (CID 18634439) is [(1S,2R,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl]oxymethylbenzene.
What is the SMILES notation for [(1S,2R,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl]oxymethylbenzene?
The canonical SMILES for [(1S,2R,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl]oxymethylbenzene is COCOC[C@H]1C[C@H](OCc2ccccc2)[C@@H](F)[C@@H]1OCOC.
What is the InChIKey of [(1S,2R,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl]oxymethylbenzene?
The InChIKey is PVCHVIWIHLLHQI-YYIAUSFCSA-N. The full InChI is InChI=1S/C17H25FO5/c1-19-11-21-10-14-8-15(16(18)17(14)23-12-20-2)22-9-13-6-4-3-5-7-13/h3-7,14-17H,8-12H2,1-2H3/t14-,15+,16-,17-/m1/s1.
What are the key properties of [(1S,2R,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl]oxymethylbenzene?
[(1S,2R,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl]oxymethylbenzene has a molecular weight of 328.38 g/mol, XLogP of 2.54, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3R,4R)-2-fluoro-3-(methoxymethoxy)-4-(methoxymethoxymethyl)cyclopentyl]oxymethylbenzene is sourced from PubChem (CID 18634439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).