N-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]aniline

C10H11F3NO2P — CID 134318906

IUPACN-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]aniline
SMILESC=CP(=O)(Nc1ccccc1)OCC(F)(F)F
InChIInChI=1S/C10H11F3NO2P/c1-2-17(15,16-8-10(11,12)13)14-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,14,15)
InChIKeyCTYDJMCBYIWLIK-UHFFFAOYSA-N
MW265.17 g/mol
LogP4.01
Rot. Bonds5

About N-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]aniline

N-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]aniline (PubChem CID 134318906) has the molecular formula C10H11F3NO2P and a molecular weight of 265.17 g/mol. Its IUPAC name is N-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]aniline.

Molecular Properties

Compound NameN-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]aniline
PubChem CID134318906
Molecular FormulaC10H11F3NO2P
Molecular Weight265.17 g/mol
Exact Mass265.05
IUPAC NameN-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]aniline
SMILESC=CP(=O)(Nc1ccccc1)OCC(F)(F)F
InChIInChI=1S/C10H11F3NO2P/c1-2-17(15,16-8-10(11,12)13)14-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,14,15)
InChIKeyCTYDJMCBYIWLIK-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.17
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl(2,2,2-trifluoroethoxy)phosphinic acid
CID 118440971
1-fluoro-2-[(2-fluorophenyl)-(2,2,2-trifluoroethoxy)phosphoryl]benzene
CID 66796970
(S)-bis(2,2,2-trifluoroethoxy)phosphoryl-phenylmethanol
CID 102473558
2-[bis(2,2,2-trifluoroethoxy)phosphoryl-phenylmethyl]-2-(2-methylbut-3-en-2-yl)propanedinitrile
CID 71612785
(2-phenylphenyl) bis(2,2,2-trifluoroethyl) phosphate
CID 162575664
[butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene
CID 66796378
(5-anilino-4,4-difluoro-5-oxopentyl) carbamate
CID 175183183
1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene
CID 87247572
CID 67826545
CID 67826545
N-[bis(2-methylpropoxy)phosphoryl]aniline
CID 3065120
N-[(4-chlorophenoxy)-(2,2,2-trifluoroethoxy)phosphoryl]-4-methylaniline
CID 11862866
[2-[2-[3-[[3-[2-(1,1-difluoro-2-prop-2-enoyloxyethoxy)-1,1,2,2-tetrafluoroethoxy]-3,3-difluoropropoxy]-phenylphosphoryl]oxy-1,1-difluoropropoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate
CID 176728156

Frequently Asked Questions

What is the IUPAC name of N-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]aniline?
The IUPAC name of N-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]aniline (CID 134318906) is N-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]aniline.
What is the SMILES notation for N-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]aniline?
The canonical SMILES for N-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]aniline is C=CP(=O)(Nc1ccccc1)OCC(F)(F)F.
What is the InChIKey of N-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]aniline?
The InChIKey is CTYDJMCBYIWLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3NO2P/c1-2-17(15,16-8-10(11,12)13)14-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,14,15).
What are the key properties of N-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]aniline?
N-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]aniline has a molecular weight of 265.17 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]aniline is sourced from PubChem (CID 134318906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).