(5S)-5-(ethoxymethyl)-3,3-difluoro-2-hydroxy-1,2λ5-oxaphospholane 2-oxide

C6H11F2O4P — CID 58881727

IUPAC(5S)-5-(ethoxymethyl)-3,3-difluoro-2-hydroxy-1,2λ5-oxaphospholane 2-oxide
SMILESCCOC[C@@H]1CC(F)(F)P(=O)(O)O1
InChIInChI=1S/C6H11F2O4P/c1-2-11-4-5-3-6(7,8)13(9,10)12-5/h5H,2-4H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyNOWCINKKDPGKEC-YFKPBYRVSA-N
MW216.12 g/mol
LogP1.59
Rot. Bonds3

About (5S)-5-(ethoxymethyl)-3,3-difluoro-2-hydroxy-1,2λ5-oxaphospholane 2-oxide

(5S)-5-(ethoxymethyl)-3,3-difluoro-2-hydroxy-1,2λ5-oxaphospholane 2-oxide (PubChem CID 58881727) has the molecular formula C6H11F2O4P and a molecular weight of 216.12 g/mol. Its IUPAC name is (5S)-5-(ethoxymethyl)-3,3-difluoro-2-hydroxy-1,2λ5-oxaphospholane 2-oxide.

Molecular Properties

Compound Name(5S)-5-(ethoxymethyl)-3,3-difluoro-2-hydroxy-1,2λ5-oxaphospholane 2-oxide
PubChem CID58881727
Molecular FormulaC6H11F2O4P
Molecular Weight216.12 g/mol
Exact Mass216.04
IUPAC Name(5S)-5-(ethoxymethyl)-3,3-difluoro-2-hydroxy-1,2λ5-oxaphospholane 2-oxide
SMILESCCOC[C@@H]1CC(F)(F)P(=O)(O)O1
InChIInChI=1S/C6H11F2O4P/c1-2-11-4-5-3-6(7,8)13(9,10)12-5/h5H,2-4H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyNOWCINKKDPGKEC-YFKPBYRVSA-N
XLogP1.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(ethoxymethyl)-3,3-difluoro-2-hydroxy-1,2λ5-oxaphospholane 2-oxide?
The IUPAC name of (5S)-5-(ethoxymethyl)-3,3-difluoro-2-hydroxy-1,2λ5-oxaphospholane 2-oxide (CID 58881727) is (5S)-5-(ethoxymethyl)-3,3-difluoro-2-hydroxy-1,2λ5-oxaphospholane 2-oxide.
What is the SMILES notation for (5S)-5-(ethoxymethyl)-3,3-difluoro-2-hydroxy-1,2λ5-oxaphospholane 2-oxide?
The canonical SMILES for (5S)-5-(ethoxymethyl)-3,3-difluoro-2-hydroxy-1,2λ5-oxaphospholane 2-oxide is CCOC[C@@H]1CC(F)(F)P(=O)(O)O1.
What is the InChIKey of (5S)-5-(ethoxymethyl)-3,3-difluoro-2-hydroxy-1,2λ5-oxaphospholane 2-oxide?
The InChIKey is NOWCINKKDPGKEC-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11F2O4P/c1-2-11-4-5-3-6(7,8)13(9,10)12-5/h5H,2-4H2,1H3,(H,9,10)/t5-/m0/s1.
What are the key properties of (5S)-5-(ethoxymethyl)-3,3-difluoro-2-hydroxy-1,2λ5-oxaphospholane 2-oxide?
(5S)-5-(ethoxymethyl)-3,3-difluoro-2-hydroxy-1,2λ5-oxaphospholane 2-oxide has a molecular weight of 216.12 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(ethoxymethyl)-3,3-difluoro-2-hydroxy-1,2λ5-oxaphospholane 2-oxide is sourced from PubChem (CID 58881727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).