(1S)-1-diethoxyphosphoryl-1-fluoroethane

C6H14FO3P — CID 15939500

IUPAC(1S)-1-diethoxyphosphoryl-1-fluoroethane
SMILESCCOP(=O)(OCC)[C@@H](C)F
InChIInChI=1S/C6H14FO3P/c1-4-9-11(8,6(3)7)10-5-2/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyQVRDFHQKWWYMPE-LURJTMIESA-N
MW184.15 g/mol
LogP2.57
Rot. Bonds5

About (1S)-1-diethoxyphosphoryl-1-fluoroethane

(1S)-1-diethoxyphosphoryl-1-fluoroethane (PubChem CID 15939500) has the molecular formula C6H14FO3P and a molecular weight of 184.15 g/mol. Its IUPAC name is (1S)-1-diethoxyphosphoryl-1-fluoroethane.

Molecular Properties

Compound Name(1S)-1-diethoxyphosphoryl-1-fluoroethane
PubChem CID15939500
Molecular FormulaC6H14FO3P
Molecular Weight184.15 g/mol
Exact Mass184.07
IUPAC Name(1S)-1-diethoxyphosphoryl-1-fluoroethane
SMILESCCOP(=O)(OCC)[C@@H](C)F
InChIInChI=1S/C6H14FO3P/c1-4-9-11(8,6(3)7)10-5-2/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyQVRDFHQKWWYMPE-LURJTMIESA-N
XLogP2.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 52.57
H-Bond Donors ≤ 50
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 (1S)-1-diethoxyphosphoryl-1-fluoroethane?
The IUPAC name of (1S)-1-diethoxyphosphoryl-1-fluoroethane (CID 15939500) is (1S)-1-diethoxyphosphoryl-1-fluoroethane.
What is the SMILES notation for (1S)-1-diethoxyphosphoryl-1-fluoroethane?
The canonical SMILES for (1S)-1-diethoxyphosphoryl-1-fluoroethane is CCOP(=O)(OCC)[C@@H](C)F.
What is the InChIKey of (1S)-1-diethoxyphosphoryl-1-fluoroethane?
The InChIKey is QVRDFHQKWWYMPE-LURJTMIESA-N. The full InChI is InChI=1S/C6H14FO3P/c1-4-9-11(8,6(3)7)10-5-2/h6H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of (1S)-1-diethoxyphosphoryl-1-fluoroethane?
(1S)-1-diethoxyphosphoryl-1-fluoroethane has a molecular weight of 184.15 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-diethoxyphosphoryl-1-fluoroethane is sourced from PubChem (CID 15939500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).