5-fluoro-2-heptyl-3-phosphanyloxycyclopentane-1-carbaldehyde

C13H24FO2P — CID 22951152

IUPAC5-fluoro-2-heptyl-3-phosphanyloxycyclopentane-1-carbaldehyde
SMILESCCCCCCCC1C(OP)CC(F)C1C=O
InChIInChI=1S/C13H24FO2P/c1-2-3-4-5-6-7-10-11(9-15)12(14)8-13(10)16-17/h9-13H,2-8,17H2,1H3
InChIKeyVFTCUEVXELPMHB-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.70
Rot. Bonds8

About 5-fluoro-2-heptyl-3-phosphanyloxycyclopentane-1-carbaldehyde

5-fluoro-2-heptyl-3-phosphanyloxycyclopentane-1-carbaldehyde (PubChem CID 22951152) has the molecular formula C13H24FO2P and a molecular weight of 262.30 g/mol. Its IUPAC name is 5-fluoro-2-heptyl-3-phosphanyloxycyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-2-heptyl-3-phosphanyloxycyclopentane-1-carbaldehyde
PubChem CID22951152
Molecular FormulaC13H24FO2P
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC Name5-fluoro-2-heptyl-3-phosphanyloxycyclopentane-1-carbaldehyde
SMILESCCCCCCCC1C(OP)CC(F)C1C=O
InChIInChI=1S/C13H24FO2P/c1-2-3-4-5-6-7-10-11(9-15)12(14)8-13(10)16-17/h9-13H,2-8,17H2,1H3
InChIKeyVFTCUEVXELPMHB-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-heptyl-3-phosphanyloxycyclopentane-1-carbaldehyde?
The IUPAC name of 5-fluoro-2-heptyl-3-phosphanyloxycyclopentane-1-carbaldehyde (CID 22951152) is 5-fluoro-2-heptyl-3-phosphanyloxycyclopentane-1-carbaldehyde.
What is the SMILES notation for 5-fluoro-2-heptyl-3-phosphanyloxycyclopentane-1-carbaldehyde?
The canonical SMILES for 5-fluoro-2-heptyl-3-phosphanyloxycyclopentane-1-carbaldehyde is CCCCCCCC1C(OP)CC(F)C1C=O.
What is the InChIKey of 5-fluoro-2-heptyl-3-phosphanyloxycyclopentane-1-carbaldehyde?
The InChIKey is VFTCUEVXELPMHB-UHFFFAOYSA-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/h9-13H,2-8,17H2,1H3.
What are the key properties of 5-fluoro-2-heptyl-3-phosphanyloxycyclopentane-1-carbaldehyde?
5-fluoro-2-heptyl-3-phosphanyloxycyclopentane-1-carbaldehyde has a molecular weight of 262.30 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-heptyl-3-phosphanyloxycyclopentane-1-carbaldehyde is sourced from PubChem (CID 22951152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).