2-[2-(3-diethoxyphosphoryl-3,3-difluoropropoxy)ethoxy]ethanamine;hydrochloride

C11H25ClF2NO5P — CID 86678263

IUPAC2-[2-(3-diethoxyphosphoryl-3,3-difluoropropoxy)ethoxy]ethanamine;hydrochloride
SMILESCCOP(=O)(OCC)C(F)(F)CCOCCOCCN.Cl
InChIInChI=1S/C11H24F2NO5P.ClH/c1-3-18-20(15,19-4-2)11(12,13)5-7-16-9-10-17-8-6-14;/h3-10,14H2,1-2H3;1H
InChIKeyLDBDHDHICXWXEN-UHFFFAOYSA-N
MW355.75 g/mol
LogP2.65
Rot. Bonds13

About 2-[2-(3-diethoxyphosphoryl-3,3-difluoropropoxy)ethoxy]ethanamine;hydrochloride

2-[2-(3-diethoxyphosphoryl-3,3-difluoropropoxy)ethoxy]ethanamine;hydrochloride (PubChem CID 86678263) has the molecular formula C11H25ClF2NO5P and a molecular weight of 355.75 g/mol. Its IUPAC name is 2-[2-(3-diethoxyphosphoryl-3,3-difluoropropoxy)ethoxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[2-(3-diethoxyphosphoryl-3,3-difluoropropoxy)ethoxy]ethanamine;hydrochloride
PubChem CID86678263
Molecular FormulaC11H25ClF2NO5P
Molecular Weight355.75 g/mol
Exact Mass355.11
IUPAC Name2-[2-(3-diethoxyphosphoryl-3,3-difluoropropoxy)ethoxy]ethanamine;hydrochloride
SMILESCCOP(=O)(OCC)C(F)(F)CCOCCOCCN.Cl
InChIInChI=1S/C11H24F2NO5P.ClH/c1-3-18-20(15,19-4-2)11(12,13)5-7-16-9-10-17-8-6-14;/h3-10,14H2,1-2H3;1H
InChIKeyLDBDHDHICXWXEN-UHFFFAOYSA-N
XLogP2.65
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.75
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-diethoxyphosphoryl-3,3-difluoropropoxy)ethanamine;hydrochloride
CID 86678306
4-diethoxyphosphoryl-4,4-difluorobutan-1-amine;hydrochloride
CID 86678297
3-[2-(2-azidoethoxy)ethoxy]-1-diethoxyphosphoryl-1,1-difluoropropane
CID 86678262
(3-diethoxyphosphoryl-3,3-difluoropropoxy)methylbenzene
CID 162539468
1-diethoxyphosphoryl-1,1-difluorohexane
CID 10445215
(4-diethoxyphosphoryl-4,4-difluorobutyl)-ethoxy-dimethylsilane
CID 58807017
(4-diethoxyphosphoryl-4,4-difluorobutyl)-diethoxy-methylsilane
CID 87841751
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrochloride
CID 146502612
2-[2-(2-aminoethoxy)ethoxy]ethyl dimethyl phosphate
CID 147848914
2-(2-ethoxyethoxy)ethanamine;molecular hydrogen
CID 142365297
4-[diethoxyphosphoryl(difluoro)methyl]aniline;hydrochloride
CID 21088749
2-diethoxyphosphoryl-2-methylpropan-1-amine
CID 58928684

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-diethoxyphosphoryl-3,3-difluoropropoxy)ethoxy]ethanamine;hydrochloride?
The IUPAC name of 2-[2-(3-diethoxyphosphoryl-3,3-difluoropropoxy)ethoxy]ethanamine;hydrochloride (CID 86678263) is 2-[2-(3-diethoxyphosphoryl-3,3-difluoropropoxy)ethoxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[2-(3-diethoxyphosphoryl-3,3-difluoropropoxy)ethoxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[2-(3-diethoxyphosphoryl-3,3-difluoropropoxy)ethoxy]ethanamine;hydrochloride is CCOP(=O)(OCC)C(F)(F)CCOCCOCCN.Cl.
What is the InChIKey of 2-[2-(3-diethoxyphosphoryl-3,3-difluoropropoxy)ethoxy]ethanamine;hydrochloride?
The InChIKey is LDBDHDHICXWXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24F2NO5P.ClH/c1-3-18-20(15,19-4-2)11(12,13)5-7-16-9-10-17-8-6-14;/h3-10,14H2,1-2H3;1H.
What are the key properties of 2-[2-(3-diethoxyphosphoryl-3,3-difluoropropoxy)ethoxy]ethanamine;hydrochloride?
2-[2-(3-diethoxyphosphoryl-3,3-difluoropropoxy)ethoxy]ethanamine;hydrochloride has a molecular weight of 355.75 g/mol, XLogP of 2.65, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-diethoxyphosphoryl-3,3-difluoropropoxy)ethoxy]ethanamine;hydrochloride is sourced from PubChem (CID 86678263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).