[(1S,2R,3S,5S)-5-fluoro-2-[(Z)-hept-2-enyl]-3-(oxan-2-yloxy)cyclopentyl]methanol

C18H31FO3 — CID 59065314

IUPAC[(1S,2R,3S,5S)-5-fluoro-2-[(Z)-hept-2-enyl]-3-(oxan-2-yloxy)cyclopentyl]methanol
SMILESCCCC/C=C\C[C@@H]1[C@@H](CO)[C@@H](F)C[C@@H]1OC1CCCCO1
InChIInChI=1S/C18H31FO3/c1-2-3-4-5-6-9-14-15(13-20)16(19)12-17(14)22-18-10-7-8-11-21-18/h5-6,14-18,20H,2-4,7-13H2,1H3/b6-5-/t14-,15-,16+,17+,18?/m1/s1
InChIKeyXLIIADVAKXNMNM-SFVMEQFUSA-N
MW314.44 g/mol
LogP4.00
Rot. Bonds8

About [(1S,2R,3S,5S)-5-fluoro-2-[(Z)-hept-2-enyl]-3-(oxan-2-yloxy)cyclopentyl]methanol

[(1S,2R,3S,5S)-5-fluoro-2-[(Z)-hept-2-enyl]-3-(oxan-2-yloxy)cyclopentyl]methanol (PubChem CID 59065314) has the molecular formula C18H31FO3 and a molecular weight of 314.44 g/mol. Its IUPAC name is [(1S,2R,3S,5S)-5-fluoro-2-[(Z)-hept-2-enyl]-3-(oxan-2-yloxy)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2R,3S,5S)-5-fluoro-2-[(Z)-hept-2-enyl]-3-(oxan-2-yloxy)cyclopentyl]methanol
PubChem CID59065314
Molecular FormulaC18H31FO3
Molecular Weight314.44 g/mol
Exact Mass314.23
IUPAC Name[(1S,2R,3S,5S)-5-fluoro-2-[(Z)-hept-2-enyl]-3-(oxan-2-yloxy)cyclopentyl]methanol
SMILESCCCC/C=C\C[C@@H]1[C@@H](CO)[C@@H](F)C[C@@H]1OC1CCCCO1
InChIInChI=1S/C18H31FO3/c1-2-3-4-5-6-9-14-15(13-20)16(19)12-17(14)22-18-10-7-8-11-21-18/h5-6,14-18,20H,2-4,7-13H2,1H3/b6-5-/t14-,15-,16+,17+,18?/m1/s1
InChIKeyXLIIADVAKXNMNM-SFVMEQFUSA-N
XLogP4.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.00
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 [(1S,2R,3S,5S)-5-fluoro-2-[(Z)-hept-2-enyl]-3-(oxan-2-yloxy)cyclopentyl]methanol with MolForge

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Launch Full Analysis

Related Compounds

(Z)-isopropyl 7-((1R,2S,3S,5S)-3-fluoro-2-(hydroxymethyl)-5-(tetrahydro-2H-pyran-2-yloxy)cyclopentyl)hept-5-enoate
CID 12073624
(3R,3aS,4S,6aR)-3-fluoro-4-[(E)-4-fluoro-4-methyl-3-(oxan-2-yloxy)oct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 18600713
(3R,3aS,4S,6aR)-3-fluoro-4-[4-fluoro-4-methyl-3-(oxan-2-yloxy)oct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 54239125
(3R,3aS,4S)-3-fluoro-4-[4-fluoro-3-(oxan-2-yloxy)oct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 57229815
(3aR,4R,5R,6aS)-4-[(E)-3,3-difluoro-4-(oxan-2-yloxy)oct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol
CID 57693027
(3aR,4R,5R,6aS)-4-[(E)-3,3-difluorooct-1-enyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 57693030
2-[(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyoxane
CID 59065318
propan-2-yl (E)-7-[(1R,2S,3S,5S)-3-fluoro-2-(hydroxymethyl)-5-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
CID 67000634
propan-2-yl 7-[(1R,2S,3S,5R)-3-fluoro-2-(hydroxymethyl)-5-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
CID 67000635
propan-2-yl 7-[(1R,2S,3S,5S)-3-fluoro-2-(hydroxymethyl)-5-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
CID 67000636
(3aR,4R,5R,6aS)-4-[3,3-difluoro-4-(oxan-2-yloxy)oct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol
CID 68866023
(3aR,4R,5R,6aS)-4-(3,3-difluorooct-1-enyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 68866839

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3S,5S)-5-fluoro-2-[(Z)-hept-2-enyl]-3-(oxan-2-yloxy)cyclopentyl]methanol?
The IUPAC name of [(1S,2R,3S,5S)-5-fluoro-2-[(Z)-hept-2-enyl]-3-(oxan-2-yloxy)cyclopentyl]methanol (CID 59065314) is [(1S,2R,3S,5S)-5-fluoro-2-[(Z)-hept-2-enyl]-3-(oxan-2-yloxy)cyclopentyl]methanol.
What is the SMILES notation for [(1S,2R,3S,5S)-5-fluoro-2-[(Z)-hept-2-enyl]-3-(oxan-2-yloxy)cyclopentyl]methanol?
The canonical SMILES for [(1S,2R,3S,5S)-5-fluoro-2-[(Z)-hept-2-enyl]-3-(oxan-2-yloxy)cyclopentyl]methanol is CCCC/C=C\C[C@@H]1[C@@H](CO)[C@@H](F)C[C@@H]1OC1CCCCO1.
What is the InChIKey of [(1S,2R,3S,5S)-5-fluoro-2-[(Z)-hept-2-enyl]-3-(oxan-2-yloxy)cyclopentyl]methanol?
The InChIKey is XLIIADVAKXNMNM-SFVMEQFUSA-N. The full InChI is InChI=1S/C18H31FO3/c1-2-3-4-5-6-9-14-15(13-20)16(19)12-17(14)22-18-10-7-8-11-21-18/h5-6,14-18,20H,2-4,7-13H2,1H3/b6-5-/t14-,15-,16+,17+,18?/m1/s1.
What are the key properties of [(1S,2R,3S,5S)-5-fluoro-2-[(Z)-hept-2-enyl]-3-(oxan-2-yloxy)cyclopentyl]methanol?
[(1S,2R,3S,5S)-5-fluoro-2-[(Z)-hept-2-enyl]-3-(oxan-2-yloxy)cyclopentyl]methanol has a molecular weight of 314.44 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3S,5S)-5-fluoro-2-[(Z)-hept-2-enyl]-3-(oxan-2-yloxy)cyclopentyl]methanol is sourced from PubChem (CID 59065314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).