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

C13H24FO2P — CID 59878786

IUPAC[(1S,2R)-5-fluoro-2-[(Z)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol
SMILESCCCC/C=C\C[C@H]1C(OP)CC(F)[C@@H]1CO
InChIInChI=1S/C13H24FO2P/c1-2-3-4-5-6-7-10-11(9-15)12(14)8-13(10)16-17/h5-6,10-13,15H,2-4,7-9,17H2,1H3/b6-5-/t10-,11-,12?,13?/m1/s1
InChIKeyWWKOOYVOGGADPG-PURILOCQSA-N
MW262.30 g/mol
LogP3.26
Rot. Bonds7

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

[(1S,2R)-5-fluoro-2-[(Z)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol (PubChem CID 59878786) has the molecular formula C13H24FO2P and a molecular weight of 262.30 g/mol. Its IUPAC name is [(1S,2R)-5-fluoro-2-[(Z)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-5-fluoro-2-[(Z)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol
PubChem CID59878786
Molecular FormulaC13H24FO2P
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC Name[(1S,2R)-5-fluoro-2-[(Z)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol
SMILESCCCC/C=C\C[C@H]1C(OP)CC(F)[C@@H]1CO
InChIInChI=1S/C13H24FO2P/c1-2-3-4-5-6-7-10-11(9-15)12(14)8-13(10)16-17/h5-6,10-13,15H,2-4,7-9,17H2,1H3/b6-5-/t10-,11-,12?,13?/m1/s1
InChIKeyWWKOOYVOGGADPG-PURILOCQSA-N
XLogP3.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentan-1-ol
CID 59065313
[(2R,3R)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyphosphane
CID 59878778
[(2R,3R)-3-ethyl-4-fluoro-2-[(Z)-hept-3-enyl]cyclopentyl]oxyphosphane
CID 59878798
[(1S,2R)-5-fluoro-2-[(Z)-hept-3-enyl]-3-phosphanyloxycyclopentyl]methanol
CID 59878800
methyl (Z)-7-[(1R,2S)-3-fluoro-2-(hydroxymethyl)-5-phosphanyloxycyclopentyl]hept-5-enoate
CID 59878818
(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-3-enyl]cyclopentan-1-ol
CID 59878819
(3R)-3-(4,4-difluoro-3-hydroxyoctyl)-2-[(Z)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-ol
CID 59944040
(3R)-3-(4-fluoro-3-hydroxyoctyl)-2-[(Z)-hept-2-enyl]-4-phosphanyloxycyclopentan-1-ol
CID 59963445
[4-fluoro-1-[(1R)-2-[(Z)-hept-2-enyl]-3-hydroxy-5-phosphanyloxycyclopentyl]octan-3-yl]oxy-dimethylsilanylium
CID 90814847
methyl 7-[(1R,2S)-3-fluoro-2-(hydroxymethyl)-5-phosphanyloxycyclopentyl]hept-5-enoate
CID 91505461
2-[(1R,3R)-2-[(E)-3,3-difluorooct-1-enyl]-3-iodophosphanyloxycyclopentyl]ethane-1,1-diol
CID 143807305
propan-2-yl (Z)-7-[(1R,2S)-3-fluoro-2-(hydroxymethyl)-5-phosphanyloxycyclopentyl]hept-4-enoate
CID 145812744

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-5-fluoro-2-[(Z)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol?
The IUPAC name of [(1S,2R)-5-fluoro-2-[(Z)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol (CID 59878786) is [(1S,2R)-5-fluoro-2-[(Z)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol.
What is the SMILES notation for [(1S,2R)-5-fluoro-2-[(Z)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol?
The canonical SMILES for [(1S,2R)-5-fluoro-2-[(Z)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol is CCCC/C=C\C[C@H]1C(OP)CC(F)[C@@H]1CO.
What is the InChIKey of [(1S,2R)-5-fluoro-2-[(Z)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol?
The InChIKey is WWKOOYVOGGADPG-PURILOCQSA-N. The full InChI is InChI=1S/C13H24FO2P/c1-2-3-4-5-6-7-10-11(9-15)12(14)8-13(10)16-17/h5-6,10-13,15H,2-4,7-9,17H2,1H3/b6-5-/t10-,11-,12?,13?/m1/s1.
What are the key properties of [(1S,2R)-5-fluoro-2-[(Z)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol?
[(1S,2R)-5-fluoro-2-[(Z)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol has a molecular weight of 262.30 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-5-fluoro-2-[(Z)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol is sourced from PubChem (CID 59878786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).