(1R)-2-diethoxyphosphoryl-2,2-difluoro-1-(4-methoxyphenyl)ethanamine

C13H20F2NO4P — CID 177387905

IUPAC(1R)-2-diethoxyphosphoryl-2,2-difluoro-1-(4-methoxyphenyl)ethanamine
SMILESCCOP(=O)(OCC)C(F)(F)[C@H](N)c1ccc(OC)cc1
InChIInChI=1S/C13H20F2NO4P/c1-4-19-21(17,20-5-2)13(14,15)12(16)10-6-8-11(18-3)9-7-10/h6-9,12H,4-5,16H2,1-3H3/t12-/m1/s1
InChIKeyLYCZXHRKQZGCTP-GFCCVEGCSA-N
MW323.28 g/mol
LogP3.55
Rot. Bonds8

About (1R)-2-diethoxyphosphoryl-2,2-difluoro-1-(4-methoxyphenyl)ethanamine

(1R)-2-diethoxyphosphoryl-2,2-difluoro-1-(4-methoxyphenyl)ethanamine (PubChem CID 177387905) has the molecular formula C13H20F2NO4P and a molecular weight of 323.28 g/mol. Its IUPAC name is (1R)-2-diethoxyphosphoryl-2,2-difluoro-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2-diethoxyphosphoryl-2,2-difluoro-1-(4-methoxyphenyl)ethanamine
PubChem CID177387905
Molecular FormulaC13H20F2NO4P
Molecular Weight323.28 g/mol
Exact Mass323.11
IUPAC Name(1R)-2-diethoxyphosphoryl-2,2-difluoro-1-(4-methoxyphenyl)ethanamine
SMILESCCOP(=O)(OCC)C(F)(F)[C@H](N)c1ccc(OC)cc1
InChIInChI=1S/C13H20F2NO4P/c1-4-19-21(17,20-5-2)13(14,15)12(16)10-6-8-11(18-3)9-7-10/h6-9,12H,4-5,16H2,1-3H3/t12-/m1/s1
InChIKeyLYCZXHRKQZGCTP-GFCCVEGCSA-N
XLogP3.55
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-diethoxyphosphoryl-2,2-difluoro-1-phenylethanamine
CID 124518457
ethyl (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoate
CID 171239890
1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene
CID 15272442
(4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine
CID 89463039
(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 171239899
ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate
CID 125466938
(S)-diethoxyphosphoryl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171191830
1-(4-bromophenyl)-2-diethoxyphosphoryl-2,2-difluoroethanol
CID 163325177
1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 71606452
1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene
CID 90848416
(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-diethoxyphosphoryl-2-(4-methoxyphenyl)ethanamine
CID 10993448
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826

Frequently Asked Questions

What is the IUPAC name of (1R)-2-diethoxyphosphoryl-2,2-difluoro-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-2-diethoxyphosphoryl-2,2-difluoro-1-(4-methoxyphenyl)ethanamine (CID 177387905) is (1R)-2-diethoxyphosphoryl-2,2-difluoro-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-2-diethoxyphosphoryl-2,2-difluoro-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-2-diethoxyphosphoryl-2,2-difluoro-1-(4-methoxyphenyl)ethanamine is CCOP(=O)(OCC)C(F)(F)[C@H](N)c1ccc(OC)cc1.
What is the InChIKey of (1R)-2-diethoxyphosphoryl-2,2-difluoro-1-(4-methoxyphenyl)ethanamine?
The InChIKey is LYCZXHRKQZGCTP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20F2NO4P/c1-4-19-21(17,20-5-2)13(14,15)12(16)10-6-8-11(18-3)9-7-10/h6-9,12H,4-5,16H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-2-diethoxyphosphoryl-2,2-difluoro-1-(4-methoxyphenyl)ethanamine?
(1R)-2-diethoxyphosphoryl-2,2-difluoro-1-(4-methoxyphenyl)ethanamine has a molecular weight of 323.28 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-diethoxyphosphoryl-2,2-difluoro-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 177387905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).