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

C8H15F2O5P — CID 102460887

IUPAC[difluoro-[(1R,2R)-2-[(1S)-1-hydroxyethyl]cyclopropyl]methyl] dimethyl phosphate
SMILESCOP(=O)(OC)OC(F)(F)[C@@H]1C[C@H]1[C@H](C)O
InChIInChI=1S/C8H15F2O5P/c1-5(11)6-4-7(6)8(9,10)15-16(12,13-2)14-3/h5-7,11H,4H2,1-3H3/t5-,6-,7+/m0/s1
InChIKeyCDEZXJYYJBSXQP-LYFYHCNISA-N
MW260.17 g/mol
LogP2.01
Rot. Bonds6

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

[difluoro-[(1R,2R)-2-[(1S)-1-hydroxyethyl]cyclopropyl]methyl] dimethyl phosphate (PubChem CID 102460887) has the molecular formula C8H15F2O5P and a molecular weight of 260.17 g/mol. Its IUPAC name is [difluoro-[(1R,2R)-2-[(1S)-1-hydroxyethyl]cyclopropyl]methyl] dimethyl phosphate.

Molecular Properties

Compound Name[difluoro-[(1R,2R)-2-[(1S)-1-hydroxyethyl]cyclopropyl]methyl] dimethyl phosphate
PubChem CID102460887
Molecular FormulaC8H15F2O5P
Molecular Weight260.17 g/mol
Exact Mass260.06
IUPAC Name[difluoro-[(1R,2R)-2-[(1S)-1-hydroxyethyl]cyclopropyl]methyl] dimethyl phosphate
SMILESCOP(=O)(OC)OC(F)(F)[C@@H]1C[C@H]1[C@H](C)O
InChIInChI=1S/C8H15F2O5P/c1-5(11)6-4-7(6)8(9,10)15-16(12,13-2)14-3/h5-7,11H,4H2,1-3H3/t5-,6-,7+/m0/s1
InChIKeyCDEZXJYYJBSXQP-LYFYHCNISA-N
XLogP2.01
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[difluoro-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]methyl] dimethyl phosphate
CID 102460893
[difluoro-[(1R,2R)-2-[(1R)-1-hydroxybut-3-enyl]cyclopropyl]methyl] dimethyl phosphate
CID 102460911
[difluoro-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methyl] dimethyl phosphate
CID 102460896
[difluoro-[(1S,2S)-2-[(1S)-1-(6-oxo-1H-purin-9-yl)ethyl]cyclopropyl]methyl] dimethyl phosphate
CID 136870077
1-[(1R,2R)-2-tert-butylcyclopropyl]ethanol
CID 67159862
methyl bis(trifluoromethyl) phosphate
CID 87128096
1,1-dihydroxyethyl dimethyl phosphate
CID 142647593
2-dimethoxyphosphoryloxy-2-methylpropanoic acid
CID 123944469
(1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol
CID 124747303
1,1-dichloroethyl dimethyl phosphate
CID 87919827
1-(2-bicyclo[2.1.1]hexanyl)ethanol
CID 105427290
(2S)-1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]cyclopropyl]propan-2-ol
CID 155439190

Frequently Asked Questions

What is the IUPAC name of [difluoro-[(1R,2R)-2-[(1S)-1-hydroxyethyl]cyclopropyl]methyl] dimethyl phosphate?
The IUPAC name of [difluoro-[(1R,2R)-2-[(1S)-1-hydroxyethyl]cyclopropyl]methyl] dimethyl phosphate (CID 102460887) is [difluoro-[(1R,2R)-2-[(1S)-1-hydroxyethyl]cyclopropyl]methyl] dimethyl phosphate.
What is the SMILES notation for [difluoro-[(1R,2R)-2-[(1S)-1-hydroxyethyl]cyclopropyl]methyl] dimethyl phosphate?
The canonical SMILES for [difluoro-[(1R,2R)-2-[(1S)-1-hydroxyethyl]cyclopropyl]methyl] dimethyl phosphate is COP(=O)(OC)OC(F)(F)[C@@H]1C[C@H]1[C@H](C)O.
What is the InChIKey of [difluoro-[(1R,2R)-2-[(1S)-1-hydroxyethyl]cyclopropyl]methyl] dimethyl phosphate?
The InChIKey is CDEZXJYYJBSXQP-LYFYHCNISA-N. The full InChI is InChI=1S/C8H15F2O5P/c1-5(11)6-4-7(6)8(9,10)15-16(12,13-2)14-3/h5-7,11H,4H2,1-3H3/t5-,6-,7+/m0/s1.
What are the key properties of [difluoro-[(1R,2R)-2-[(1S)-1-hydroxyethyl]cyclopropyl]methyl] dimethyl phosphate?
[difluoro-[(1R,2R)-2-[(1S)-1-hydroxyethyl]cyclopropyl]methyl] dimethyl phosphate has a molecular weight of 260.17 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro-[(1R,2R)-2-[(1S)-1-hydroxyethyl]cyclopropyl]methyl] dimethyl phosphate is sourced from PubChem (CID 102460887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).