[(2S)-2-chloropropyl] diethyl phosphate

C7H16ClO4P — CID 134992650

IUPAC[(2S)-2-chloropropyl] diethyl phosphate
SMILESCCOP(=O)(OCC)OC[C@H](C)Cl
InChIInChI=1S/C7H16ClO4P/c1-4-10-13(9,11-5-2)12-6-7(3)8/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyQVPJEXHKIWOEQY-ZETCQYMHSA-N
MW230.63 g/mol
LogP2.81
Rot. Bonds7

About [(2S)-2-chloropropyl] diethyl phosphate

[(2S)-2-chloropropyl] diethyl phosphate (PubChem CID 134992650) has the molecular formula C7H16ClO4P and a molecular weight of 230.63 g/mol. Its IUPAC name is [(2S)-2-chloropropyl] diethyl phosphate.

Molecular Properties

Compound Name[(2S)-2-chloropropyl] diethyl phosphate
PubChem CID134992650
Molecular FormulaC7H16ClO4P
Molecular Weight230.63 g/mol
Exact Mass230.05
IUPAC Name[(2S)-2-chloropropyl] diethyl phosphate
SMILESCCOP(=O)(OCC)OC[C@H](C)Cl
InChIInChI=1S/C7H16ClO4P/c1-4-10-13(9,11-5-2)12-6-7(3)8/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyQVPJEXHKIWOEQY-ZETCQYMHSA-N
XLogP2.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.63
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-chloropropyl] diethyl phosphate?
The IUPAC name of [(2S)-2-chloropropyl] diethyl phosphate (CID 134992650) is [(2S)-2-chloropropyl] diethyl phosphate.
What is the SMILES notation for [(2S)-2-chloropropyl] diethyl phosphate?
The canonical SMILES for [(2S)-2-chloropropyl] diethyl phosphate is CCOP(=O)(OCC)OC[C@H](C)Cl.
What is the InChIKey of [(2S)-2-chloropropyl] diethyl phosphate?
The InChIKey is QVPJEXHKIWOEQY-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16ClO4P/c1-4-10-13(9,11-5-2)12-6-7(3)8/h7H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of [(2S)-2-chloropropyl] diethyl phosphate?
[(2S)-2-chloropropyl] diethyl phosphate has a molecular weight of 230.63 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-chloropropyl] diethyl phosphate is sourced from PubChem (CID 134992650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).