[difluoro-[(1R,2R)-2-[(1R)-1-hydroxybut-3-enyl]cyclopropyl]methyl] dimethyl phosphate

C10H17F2O5P — CID 102460911

IUPAC[difluoro-[(1R,2R)-2-[(1R)-1-hydroxybut-3-enyl]cyclopropyl]methyl] dimethyl phosphate
SMILESC=CC[C@@H](O)[C@@H]1C[C@H]1C(F)(F)OP(=O)(OC)OC
InChIInChI=1S/C10H17F2O5P/c1-4-5-9(13)7-6-8(7)10(11,12)17-18(14,15-2)16-3/h4,7-9,13H,1,5-6H2,2-3H3/t7-,8-,9-/m1/s1
InChIKeyXKYCAIHREMKEDD-IWSPIJDZSA-N
MW286.21 g/mol
LogP2.57
Rot. Bonds8

About [difluoro-[(1R,2R)-2-[(1R)-1-hydroxybut-3-enyl]cyclopropyl]methyl] dimethyl phosphate

[difluoro-[(1R,2R)-2-[(1R)-1-hydroxybut-3-enyl]cyclopropyl]methyl] dimethyl phosphate (PubChem CID 102460911) has the molecular formula C10H17F2O5P and a molecular weight of 286.21 g/mol. Its IUPAC name is [difluoro-[(1R,2R)-2-[(1R)-1-hydroxybut-3-enyl]cyclopropyl]methyl] dimethyl phosphate.

Molecular Properties

Compound Name[difluoro-[(1R,2R)-2-[(1R)-1-hydroxybut-3-enyl]cyclopropyl]methyl] dimethyl phosphate
PubChem CID102460911
Molecular FormulaC10H17F2O5P
Molecular Weight286.21 g/mol
Exact Mass286.08
IUPAC Name[difluoro-[(1R,2R)-2-[(1R)-1-hydroxybut-3-enyl]cyclopropyl]methyl] dimethyl phosphate
SMILESC=CC[C@@H](O)[C@@H]1C[C@H]1C(F)(F)OP(=O)(OC)OC
InChIInChI=1S/C10H17F2O5P/c1-4-5-9(13)7-6-8(7)10(11,12)17-18(14,15-2)16-3/h4,7-9,13H,1,5-6H2,2-3H3/t7-,8-,9-/m1/s1
InChIKeyXKYCAIHREMKEDD-IWSPIJDZSA-N
XLogP2.57
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[difluoro-[(1R,2R)-2-[(1S)-1-hydroxyethyl]cyclopropyl]methyl] dimethyl phosphate
CID 102460887
[difluoro-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]methyl] dimethyl phosphate
CID 102460893
[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
(1S)-1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]but-3-en-1-ol
CID 10682540
1-(3-bicyclo[3.1.0]hexanyl)but-3-en-1-ol
CID 115778669
methyl bis(trifluoromethyl) phosphate
CID 87128096
azane;methyl bis(prop-2-enyl) phosphate
CID 174513624
(2R)-1,1-dimethoxypent-4-en-2-ol
CID 102353171
1-(1-methoxy-4-methylcyclohexyl)but-3-en-1-ol
CID 116754516
2-O-[(1S,2R,3S)-2-[(1R)-1-hydroxybut-3-enyl]-3-methoxycarbonylcyclopropyl] 1-O-methyl oxalate
CID 15459187
1,1-dihydroxyethyl dimethyl phosphate
CID 142647593

Frequently Asked Questions

What is the IUPAC name of [difluoro-[(1R,2R)-2-[(1R)-1-hydroxybut-3-enyl]cyclopropyl]methyl] dimethyl phosphate?
The IUPAC name of [difluoro-[(1R,2R)-2-[(1R)-1-hydroxybut-3-enyl]cyclopropyl]methyl] dimethyl phosphate (CID 102460911) is [difluoro-[(1R,2R)-2-[(1R)-1-hydroxybut-3-enyl]cyclopropyl]methyl] dimethyl phosphate.
What is the SMILES notation for [difluoro-[(1R,2R)-2-[(1R)-1-hydroxybut-3-enyl]cyclopropyl]methyl] dimethyl phosphate?
The canonical SMILES for [difluoro-[(1R,2R)-2-[(1R)-1-hydroxybut-3-enyl]cyclopropyl]methyl] dimethyl phosphate is C=CC[C@@H](O)[C@@H]1C[C@H]1C(F)(F)OP(=O)(OC)OC.
What is the InChIKey of [difluoro-[(1R,2R)-2-[(1R)-1-hydroxybut-3-enyl]cyclopropyl]methyl] dimethyl phosphate?
The InChIKey is XKYCAIHREMKEDD-IWSPIJDZSA-N. The full InChI is InChI=1S/C10H17F2O5P/c1-4-5-9(13)7-6-8(7)10(11,12)17-18(14,15-2)16-3/h4,7-9,13H,1,5-6H2,2-3H3/t7-,8-,9-/m1/s1.
What are the key properties of [difluoro-[(1R,2R)-2-[(1R)-1-hydroxybut-3-enyl]cyclopropyl]methyl] dimethyl phosphate?
[difluoro-[(1R,2R)-2-[(1R)-1-hydroxybut-3-enyl]cyclopropyl]methyl] dimethyl phosphate has a molecular weight of 286.21 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro-[(1R,2R)-2-[(1R)-1-hydroxybut-3-enyl]cyclopropyl]methyl] dimethyl phosphate is sourced from PubChem (CID 102460911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).