cyclopentyl fluoro methyl phosphate

C6H12FO4P — CID 66729749

IUPACcyclopentyl fluoro methyl phosphate
SMILESCOP(=O)(OF)OC1CCCC1
InChIInChI=1S/C6H12FO4P/c1-9-12(8,11-7)10-6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyYARCXIHEOPHDHV-UHFFFAOYSA-N
MW198.13 g/mol
LogP2.60
Rot. Bonds4

About cyclopentyl fluoro methyl phosphate

cyclopentyl fluoro methyl phosphate (PubChem CID 66729749) has the molecular formula C6H12FO4P and a molecular weight of 198.13 g/mol. Its IUPAC name is cyclopentyl fluoro methyl phosphate.

Molecular Properties

Compound Namecyclopentyl fluoro methyl phosphate
PubChem CID66729749
Molecular FormulaC6H12FO4P
Molecular Weight198.13 g/mol
Exact Mass198.05
IUPAC Namecyclopentyl fluoro methyl phosphate
SMILESCOP(=O)(OF)OC1CCCC1
InChIInChI=1S/C6H12FO4P/c1-9-12(8,11-7)10-6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyYARCXIHEOPHDHV-UHFFFAOYSA-N
XLogP2.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl fluoro methyl phosphate?
The IUPAC name of cyclopentyl fluoro methyl phosphate (CID 66729749) is cyclopentyl fluoro methyl phosphate.
What is the SMILES notation for cyclopentyl fluoro methyl phosphate?
The canonical SMILES for cyclopentyl fluoro methyl phosphate is COP(=O)(OF)OC1CCCC1.
What is the InChIKey of cyclopentyl fluoro methyl phosphate?
The InChIKey is YARCXIHEOPHDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FO4P/c1-9-12(8,11-7)10-6-4-2-3-5-6/h6H,2-5H2,1H3.
What are the key properties of cyclopentyl fluoro methyl phosphate?
cyclopentyl fluoro methyl phosphate has a molecular weight of 198.13 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl fluoro methyl phosphate is sourced from PubChem (CID 66729749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).