methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate

C15H25FO3 — CID 59878780

IUPACmethyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate
SMILESCC[C@H]1C(F)CC(O)[C@@H]1C/C=C\CCCC(=O)OC
InChIInChI=1S/C15H25FO3/c1-3-11-12(14(17)10-13(11)16)8-6-4-5-7-9-15(18)19-2/h4,6,11-14,17H,3,5,7-10H2,1-2H3/b6-4-/t11-,12-,13?,14?/m1/s1
InChIKeyLIYZZUSAXWKGJF-UQPDOETASA-N
MW272.36 g/mol
LogP3.02
Rot. Bonds7

About methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate

methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate (PubChem CID 59878780) has the molecular formula C15H25FO3 and a molecular weight of 272.36 g/mol. Its IUPAC name is methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate.

Molecular Properties

Compound Namemethyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate
PubChem CID59878780
Molecular FormulaC15H25FO3
Molecular Weight272.36 g/mol
Exact Mass272.18
IUPAC Namemethyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate
SMILESCC[C@H]1C(F)CC(O)[C@@H]1C/C=C\CCCC(=O)OC
InChIInChI=1S/C15H25FO3/c1-3-11-12(14(17)10-13(11)16)8-6-4-5-7-9-15(18)19-2/h4,6,11-14,17H,3,5,7-10H2,1-2H3/b6-4-/t11-,12-,13?,14?/m1/s1
InChIKeyLIYZZUSAXWKGJF-UQPDOETASA-N
XLogP3.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 53.02
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 methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate 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 methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate?
The IUPAC name of methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate (CID 59878780) is methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate.
What is the SMILES notation for methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate?
The canonical SMILES for methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate is CC[C@H]1C(F)CC(O)[C@@H]1C/C=C\CCCC(=O)OC.
What is the InChIKey of methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate?
The InChIKey is LIYZZUSAXWKGJF-UQPDOETASA-N. The full InChI is InChI=1S/C15H25FO3/c1-3-11-12(14(17)10-13(11)16)8-6-4-5-7-9-15(18)19-2/h4,6,11-14,17H,3,5,7-10H2,1-2H3/b6-4-/t11-,12-,13?,14?/m1/s1.
What are the key properties of methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate?
methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate has a molecular weight of 272.36 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-7-[(1R,2R)-2-ethyl-3-fluoro-5-hydroxycyclopentyl]hept-5-enoate is sourced from PubChem (CID 59878780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).