[5-fluoro-2-[(E)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol

C13H24FO2P — CID 22951149

IUPAC[5-fluoro-2-[(E)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol
SMILESCCCC/C=C/CC1C(OP)CC(F)C1CO
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+
InChIKeyWWKOOYVOGGADPG-AATRIKPKSA-N
MW262.30 g/mol
LogP3.26
Rot. Bonds7

About [5-fluoro-2-[(E)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol

[5-fluoro-2-[(E)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol (PubChem CID 22951149) has the molecular formula C13H24FO2P and a molecular weight of 262.30 g/mol. Its IUPAC name is [5-fluoro-2-[(E)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-[(E)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol
PubChem CID22951149
Molecular FormulaC13H24FO2P
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC Name[5-fluoro-2-[(E)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol
SMILESCCCC/C=C/CC1C(OP)CC(F)C1CO
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+
InChIKeyWWKOOYVOGGADPG-AATRIKPKSA-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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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[(E)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol?
The IUPAC name of [5-fluoro-2-[(E)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol (CID 22951149) is [5-fluoro-2-[(E)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol.
What is the SMILES notation for [5-fluoro-2-[(E)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol?
The canonical SMILES for [5-fluoro-2-[(E)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol is CCCC/C=C/CC1C(OP)CC(F)C1CO.
What is the InChIKey of [5-fluoro-2-[(E)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol?
The InChIKey is WWKOOYVOGGADPG-AATRIKPKSA-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+.
What are the key properties of [5-fluoro-2-[(E)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol?
[5-fluoro-2-[(E)-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 [5-fluoro-2-[(E)-hept-2-enyl]-3-phosphanyloxycyclopentyl]methanol is sourced from PubChem (CID 22951149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).