methyl (Z)-6-[(1R,2R,5S)-2-fluoro-5-(hydroxymethyl)cyclopentyl]hex-4-enoate

C13H21FO3 — CID 67796956

IUPACmethyl (Z)-6-[(1R,2R,5S)-2-fluoro-5-(hydroxymethyl)cyclopentyl]hex-4-enoate
SMILESCOC(=O)CC/C=C\C[C@@H]1[C@@H](CO)CC[C@H]1F
InChIInChI=1S/C13H21FO3/c1-17-13(16)6-4-2-3-5-11-10(9-15)7-8-12(11)14/h2-3,10-12,15H,4-9H2,1H3/b3-2-/t10-,11-,12-/m1/s1
InChIKeyPKJGSUDYFOHRAI-QIOFFNHISA-N
MW244.31 g/mol
LogP2.24
Rot. Bonds6

About methyl (Z)-6-[(1R,2R,5S)-2-fluoro-5-(hydroxymethyl)cyclopentyl]hex-4-enoate

methyl (Z)-6-[(1R,2R,5S)-2-fluoro-5-(hydroxymethyl)cyclopentyl]hex-4-enoate (PubChem CID 67796956) has the molecular formula C13H21FO3 and a molecular weight of 244.31 g/mol. Its IUPAC name is methyl (Z)-6-[(1R,2R,5S)-2-fluoro-5-(hydroxymethyl)cyclopentyl]hex-4-enoate.

Molecular Properties

Compound Namemethyl (Z)-6-[(1R,2R,5S)-2-fluoro-5-(hydroxymethyl)cyclopentyl]hex-4-enoate
PubChem CID67796956
Molecular FormulaC13H21FO3
Molecular Weight244.31 g/mol
Exact Mass244.15
IUPAC Namemethyl (Z)-6-[(1R,2R,5S)-2-fluoro-5-(hydroxymethyl)cyclopentyl]hex-4-enoate
SMILESCOC(=O)CC/C=C\C[C@@H]1[C@@H](CO)CC[C@H]1F
InChIInChI=1S/C13H21FO3/c1-17-13(16)6-4-2-3-5-11-10(9-15)7-8-12(11)14/h2-3,10-12,15H,4-9H2,1H3/b3-2-/t10-,11-,12-/m1/s1
InChIKeyPKJGSUDYFOHRAI-QIOFFNHISA-N
XLogP2.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (Z)-6-[(1R,2R,5S)-2-fluoro-5-(hydroxymethyl)cyclopentyl]hex-4-enoate with MolForge

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Related Compounds

methyl (Z)-6-[(1R,2S,5R)-2-(benzenesulfonamidomethyl)-5-fluorocyclopentyl]hex-4-enoate
CID 67916513
methyl (Z)-6-[(1R,2S,5R)-2-[[(4-chlorophenyl)carbamoylamino]methyl]-5-fluorocyclopentyl]hex-4-enoate
CID 67797101
methyl (Z)-6-[(1R,2S,5S)-2-(hydroxymethyl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-4-enoate
CID 67726586
dimethyl (E)-oct-4-enedioate
CID 15585051
methyl (Z)-7-[(1R,2R,3R,4S)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoate
CID 13240967
methyl (Z)-7-[(1R,2S)-3-fluoro-2-(hydroxymethyl)-5-phosphanyloxycyclopentyl]hept-5-enoate
CID 59878818
methyl (Z)-oct-4-enoate
CID 5352774
methyl (4Z,8E)-trideca-4,8,12-trienoate
CID 5322113
methyl 7-[(1S,2R)-2-formylcyclopentyl]hept-5-enoate
CID 57105862
methyl 2-(3-methyl-2-pent-2-enylcyclopentyl)acetate
CID 72593148
methyl (4E)-octa-4,7-dienoate
CID 10986465
methyl (4E,7E)-deca-4,7-dienoate
CID 102118317

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-6-[(1R,2R,5S)-2-fluoro-5-(hydroxymethyl)cyclopentyl]hex-4-enoate?
The IUPAC name of methyl (Z)-6-[(1R,2R,5S)-2-fluoro-5-(hydroxymethyl)cyclopentyl]hex-4-enoate (CID 67796956) is methyl (Z)-6-[(1R,2R,5S)-2-fluoro-5-(hydroxymethyl)cyclopentyl]hex-4-enoate.
What is the SMILES notation for methyl (Z)-6-[(1R,2R,5S)-2-fluoro-5-(hydroxymethyl)cyclopentyl]hex-4-enoate?
The canonical SMILES for methyl (Z)-6-[(1R,2R,5S)-2-fluoro-5-(hydroxymethyl)cyclopentyl]hex-4-enoate is COC(=O)CC/C=C\C[C@@H]1[C@@H](CO)CC[C@H]1F.
What is the InChIKey of methyl (Z)-6-[(1R,2R,5S)-2-fluoro-5-(hydroxymethyl)cyclopentyl]hex-4-enoate?
The InChIKey is PKJGSUDYFOHRAI-QIOFFNHISA-N. The full InChI is InChI=1S/C13H21FO3/c1-17-13(16)6-4-2-3-5-11-10(9-15)7-8-12(11)14/h2-3,10-12,15H,4-9H2,1H3/b3-2-/t10-,11-,12-/m1/s1.
What are the key properties of methyl (Z)-6-[(1R,2R,5S)-2-fluoro-5-(hydroxymethyl)cyclopentyl]hex-4-enoate?
methyl (Z)-6-[(1R,2R,5S)-2-fluoro-5-(hydroxymethyl)cyclopentyl]hex-4-enoate has a molecular weight of 244.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-6-[(1R,2R,5S)-2-fluoro-5-(hydroxymethyl)cyclopentyl]hex-4-enoate is sourced from PubChem (CID 67796956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).