[difluoro-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methyl] dimethyl phosphate

C7H13F2O5P — CID 102460896

IUPAC[difluoro-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methyl] dimethyl phosphate
SMILESCOP(=O)(OC)OC(F)(F)[C@H]1C[C@@H]1CO
InChIInChI=1S/C7H13F2O5P/c1-12-15(11,13-2)14-7(8,9)6-3-5(6)4-10/h5-6,10H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyMDFJJJBXJHKIAG-RITPCOANSA-N
MW246.15 g/mol
LogP1.63
Rot. Bonds6

About [difluoro-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methyl] dimethyl phosphate

[difluoro-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methyl] dimethyl phosphate (PubChem CID 102460896) has the molecular formula C7H13F2O5P and a molecular weight of 246.15 g/mol. Its IUPAC name is [difluoro-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methyl] dimethyl phosphate.

Molecular Properties

Compound Name[difluoro-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methyl] dimethyl phosphate
PubChem CID102460896
Molecular FormulaC7H13F2O5P
Molecular Weight246.15 g/mol
Exact Mass246.05
IUPAC Name[difluoro-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methyl] dimethyl phosphate
SMILESCOP(=O)(OC)OC(F)(F)[C@H]1C[C@@H]1CO
InChIInChI=1S/C7H13F2O5P/c1-12-15(11,13-2)14-7(8,9)6-3-5(6)4-10/h5-6,10H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyMDFJJJBXJHKIAG-RITPCOANSA-N
XLogP1.63
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [difluoro-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methyl] dimethyl phosphate?
The IUPAC name of [difluoro-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methyl] dimethyl phosphate (CID 102460896) is [difluoro-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methyl] dimethyl phosphate.
What is the SMILES notation for [difluoro-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methyl] dimethyl phosphate?
The canonical SMILES for [difluoro-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methyl] dimethyl phosphate is COP(=O)(OC)OC(F)(F)[C@H]1C[C@@H]1CO.
What is the InChIKey of [difluoro-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methyl] dimethyl phosphate?
The InChIKey is MDFJJJBXJHKIAG-RITPCOANSA-N. The full InChI is InChI=1S/C7H13F2O5P/c1-12-15(11,13-2)14-7(8,9)6-3-5(6)4-10/h5-6,10H,3-4H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of [difluoro-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methyl] dimethyl phosphate?
[difluoro-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methyl] dimethyl phosphate has a molecular weight of 246.15 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methyl] dimethyl phosphate is sourced from PubChem (CID 102460896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).