[(1R,2S)-2-[diethoxyphosphoryl(difluoro)methyl]cyclopropyl]methanol

C9H17F2O4P — CID 101002673

IUPAC[(1R,2S)-2-[diethoxyphosphoryl(difluoro)methyl]cyclopropyl]methanol
SMILESCCOP(=O)(OCC)C(F)(F)[C@H]1C[C@H]1CO
InChIInChI=1S/C9H17F2O4P/c1-3-14-16(13,15-4-2)9(10,11)8-5-7(8)6-12/h7-8,12H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyRSVVLNHQAURKLG-YUMQZZPRSA-N
MW258.20 g/mol
LogP2.47
Rot. Bonds7

About [(1R,2S)-2-[diethoxyphosphoryl(difluoro)methyl]cyclopropyl]methanol

[(1R,2S)-2-[diethoxyphosphoryl(difluoro)methyl]cyclopropyl]methanol (PubChem CID 101002673) has the molecular formula C9H17F2O4P and a molecular weight of 258.20 g/mol. Its IUPAC name is [(1R,2S)-2-[diethoxyphosphoryl(difluoro)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-[diethoxyphosphoryl(difluoro)methyl]cyclopropyl]methanol
PubChem CID101002673
Molecular FormulaC9H17F2O4P
Molecular Weight258.20 g/mol
Exact Mass258.08
IUPAC Name[(1R,2S)-2-[diethoxyphosphoryl(difluoro)methyl]cyclopropyl]methanol
SMILESCCOP(=O)(OCC)C(F)(F)[C@H]1C[C@H]1CO
InChIInChI=1S/C9H17F2O4P/c1-3-14-16(13,15-4-2)9(10,11)8-5-7(8)6-12/h7-8,12H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyRSVVLNHQAURKLG-YUMQZZPRSA-N
XLogP2.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
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 [(1R,2S)-2-[diethoxyphosphoryl(difluoro)methyl]cyclopropyl]methanol?
The IUPAC name of [(1R,2S)-2-[diethoxyphosphoryl(difluoro)methyl]cyclopropyl]methanol (CID 101002673) is [(1R,2S)-2-[diethoxyphosphoryl(difluoro)methyl]cyclopropyl]methanol.
What is the SMILES notation for [(1R,2S)-2-[diethoxyphosphoryl(difluoro)methyl]cyclopropyl]methanol?
The canonical SMILES for [(1R,2S)-2-[diethoxyphosphoryl(difluoro)methyl]cyclopropyl]methanol is CCOP(=O)(OCC)C(F)(F)[C@H]1C[C@H]1CO.
What is the InChIKey of [(1R,2S)-2-[diethoxyphosphoryl(difluoro)methyl]cyclopropyl]methanol?
The InChIKey is RSVVLNHQAURKLG-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H17F2O4P/c1-3-14-16(13,15-4-2)9(10,11)8-5-7(8)6-12/h7-8,12H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of [(1R,2S)-2-[diethoxyphosphoryl(difluoro)methyl]cyclopropyl]methanol?
[(1R,2S)-2-[diethoxyphosphoryl(difluoro)methyl]cyclopropyl]methanol has a molecular weight of 258.20 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[diethoxyphosphoryl(difluoro)methyl]cyclopropyl]methanol is sourced from PubChem (CID 101002673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).