1-deuterio-1-diethoxyphosphoryl-1-fluoroethane

C6H14FO3P — CID 10910232

IUPAC1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
SMILES[2H]C(C)(F)P(=O)(OCC)OCC
InChIInChI=1S/C6H14FO3P/c1-4-9-11(8,6(3)7)10-5-2/h6H,4-5H2,1-3H3/i6D
InChIKeyQVRDFHQKWWYMPE-RAMDWTOOSA-N
MW185.15 g/mol
LogP2.57
Rot. Bonds5

About 1-deuterio-1-diethoxyphosphoryl-1-fluoroethane

1-deuterio-1-diethoxyphosphoryl-1-fluoroethane (PubChem CID 10910232) has the molecular formula C6H14FO3P and a molecular weight of 185.15 g/mol. Its IUPAC name is 1-deuterio-1-diethoxyphosphoryl-1-fluoroethane.

Molecular Properties

Compound Name1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
PubChem CID10910232
Molecular FormulaC6H14FO3P
Molecular Weight185.15 g/mol
Exact Mass185.07
IUPAC Name1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
SMILES[2H]C(C)(F)P(=O)(OCC)OCC
InChIInChI=1S/C6H14FO3P/c1-4-9-11(8,6(3)7)10-5-2/h6H,4-5H2,1-3H3/i6D
InChIKeyQVRDFHQKWWYMPE-RAMDWTOOSA-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 ≤ 500185.15
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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Related Compounds

1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
1-diethoxyphosphoryl-1-fluoro-4-methylpentane
CID 10681487
2-diethoxyphosphorylbutane
CID 2733649
1-diethoxyphosphorylethanamine
CID 5149858
1-diethoxyphosphoryl-1-(1-diethoxyphosphorylethyldisulfanyl)ethane
CID 12536435
1-deuterio-3-diethoxyphosphorylbutane
CID 58697726
1-diethoxyphosphoryl-1-fluoropentane
CID 10775597
2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane
CID 12757470
(2R,3S)-3-diethoxyphosphorylbutan-2-ol
CID 11031085
3-diethoxyphosphorylbut-1-ene
CID 13357671
3-diethoxyphosphoryl-1,1,1,3-tetrafluoropropan-2-one
CID 51350832
2-diethoxyphosphoryl-3-methylbutanenitrile
CID 11031342

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-1-diethoxyphosphoryl-1-fluoroethane?
The IUPAC name of 1-deuterio-1-diethoxyphosphoryl-1-fluoroethane (CID 10910232) is 1-deuterio-1-diethoxyphosphoryl-1-fluoroethane.
What is the SMILES notation for 1-deuterio-1-diethoxyphosphoryl-1-fluoroethane?
The canonical SMILES for 1-deuterio-1-diethoxyphosphoryl-1-fluoroethane is [2H]C(C)(F)P(=O)(OCC)OCC.
What is the InChIKey of 1-deuterio-1-diethoxyphosphoryl-1-fluoroethane?
The InChIKey is QVRDFHQKWWYMPE-RAMDWTOOSA-N. The full InChI is InChI=1S/C6H14FO3P/c1-4-9-11(8,6(3)7)10-5-2/h6H,4-5H2,1-3H3/i6D.
What are the key properties of 1-deuterio-1-diethoxyphosphoryl-1-fluoroethane?
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane has a molecular weight of 185.15 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 1-deuterio-1-diethoxyphosphoryl-1-fluoroethane is sourced from PubChem (CID 10910232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).