2,6-bis(diethoxyphosphoryl)-4-(trifluoromethyl)aniline

C15H24F3NO6P2 — CID 101468435

IUPAC2,6-bis(diethoxyphosphoryl)-4-(trifluoromethyl)aniline
SMILESCCOP(=O)(OCC)c1cc(C(F)(F)F)cc(P(=O)(OCC)OCC)c1N
InChIInChI=1S/C15H24F3NO6P2/c1-5-22-26(20,23-6-2)12-9-11(15(16,17)18)10-13(14(12)19)27(21,24-7-3)25-8-4/h9-10H,5-8,19H2,1-4H3
InChIKeyUWYGAPBAJDNBHW-UHFFFAOYSA-N
MW433.30 g/mol
LogP4.07
Rot. Bonds10

About 2,6-bis(diethoxyphosphoryl)-4-(trifluoromethyl)aniline

2,6-bis(diethoxyphosphoryl)-4-(trifluoromethyl)aniline (PubChem CID 101468435) has the molecular formula C15H24F3NO6P2 and a molecular weight of 433.30 g/mol. Its IUPAC name is 2,6-bis(diethoxyphosphoryl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2,6-bis(diethoxyphosphoryl)-4-(trifluoromethyl)aniline
PubChem CID101468435
Molecular FormulaC15H24F3NO6P2
Molecular Weight433.30 g/mol
Exact Mass433.10
IUPAC Name2,6-bis(diethoxyphosphoryl)-4-(trifluoromethyl)aniline
SMILESCCOP(=O)(OCC)c1cc(C(F)(F)F)cc(P(=O)(OCC)OCC)c1N
InChIInChI=1S/C15H24F3NO6P2/c1-5-22-26(20,23-6-2)12-9-11(15(16,17)18)10-13(14(12)19)27(21,24-7-3)25-8-4/h9-10H,5-8,19H2,1-4H3
InChIKeyUWYGAPBAJDNBHW-UHFFFAOYSA-N
XLogP4.07
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-diethoxyphosphoryl-5-(trifluoromethyl)aniline
CID 166609975
2-bromo-1-diethoxyphosphoryl-4-(trifluoromethyl)benzene
CID 166609883
2-[2-diethoxyphosphoryl-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 166610082
4-tert-butyl-2-diethoxyphosphorylphenol
CID 142755834
5-diethoxyphosphoryl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 102290576
3-diethoxyphosphoryl-4-methylaniline
CID 166610077
2-diethoxyphosphoryl-6-methylaniline
CID 54543104
2-diethoxyphosphoryl-4-methoxyaniline
CID 166610106
(R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine
CID 171192056
1-[chloro(ethoxy)phosphoryl]-4-(trifluoromethyl)benzene
CID 21054122
2-[ethoxy(methyl)phosphoryl]-6-methyl-1-oxido-4-(trifluoromethyl)pyridin-1-ium
CID 162536619
(R)-[2,5-bis(trifluoromethyl)phenyl]-diethoxyphosphorylmethanamine
CID 171192268

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(diethoxyphosphoryl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2,6-bis(diethoxyphosphoryl)-4-(trifluoromethyl)aniline (CID 101468435) is 2,6-bis(diethoxyphosphoryl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2,6-bis(diethoxyphosphoryl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2,6-bis(diethoxyphosphoryl)-4-(trifluoromethyl)aniline is CCOP(=O)(OCC)c1cc(C(F)(F)F)cc(P(=O)(OCC)OCC)c1N.
What is the InChIKey of 2,6-bis(diethoxyphosphoryl)-4-(trifluoromethyl)aniline?
The InChIKey is UWYGAPBAJDNBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO6P2/c1-5-22-26(20,23-6-2)12-9-11(15(16,17)18)10-13(14(12)19)27(21,24-7-3)25-8-4/h9-10H,5-8,19H2,1-4H3.
What are the key properties of 2,6-bis(diethoxyphosphoryl)-4-(trifluoromethyl)aniline?
2,6-bis(diethoxyphosphoryl)-4-(trifluoromethyl)aniline has a molecular weight of 433.30 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(diethoxyphosphoryl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 101468435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).