2-dimethylphosphoryl-5-(trifluoromethoxy)aniline

C9H11F3NO2P — CID 167150983

IUPAC2-dimethylphosphoryl-5-(trifluoromethoxy)aniline
SMILESCP(C)(=O)c1ccc(OC(F)(F)F)cc1N
InChIInChI=1S/C9H11F3NO2P/c1-16(2,14)8-4-3-6(5-7(8)13)15-9(10,11)12/h3-5H,13H2,1-2H3
InChIKeyPBNCIODTCVLSIU-UHFFFAOYSA-N
MW253.16 g/mol
LogP2.42
Rot. Bonds2

About 2-dimethylphosphoryl-5-(trifluoromethoxy)aniline

2-dimethylphosphoryl-5-(trifluoromethoxy)aniline (PubChem CID 167150983) has the molecular formula C9H11F3NO2P and a molecular weight of 253.16 g/mol. Its IUPAC name is 2-dimethylphosphoryl-5-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2-dimethylphosphoryl-5-(trifluoromethoxy)aniline
PubChem CID167150983
Molecular FormulaC9H11F3NO2P
Molecular Weight253.16 g/mol
Exact Mass253.05
IUPAC Name2-dimethylphosphoryl-5-(trifluoromethoxy)aniline
SMILESCP(C)(=O)c1ccc(OC(F)(F)F)cc1N
InChIInChI=1S/C9H11F3NO2P/c1-16(2,14)8-4-3-6(5-7(8)13)15-9(10,11)12/h3-5H,13H2,1-2H3
InChIKeyPBNCIODTCVLSIU-UHFFFAOYSA-N
XLogP2.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(trifluoromethoxy)benzenethiol
CID 154381732
1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine
CID 171121684
N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide
CID 14836859
2-(4-methylphenyl)-5-(trifluoromethoxy)aniline
CID 146015319
1-[2-amino-5-(trifluoromethoxy)phenyl]-2,2,2-trifluoroethanone
CID 98460898
tris[4-(trifluoromethoxy)phenyl] phosphate
CID 169101115
4-(trifluoromethoxy)-2-trimethylsilyloxyaniline
CID 167735679
2-(4-fluorophenyl)-5-(trifluoromethoxy)aniline
CID 146015322
2-(3,3-difluoropyrrolidin-1-yl)-5-(trifluoromethoxy)aniline
CID 171121686
2-[2-amino-5-(trifluoromethoxy)phenyl]propanoic acid
CID 106987644
2-(2-fluoro-5-methylphenyl)-5-(trifluoromethoxy)aniline
CID 172676635
2-(cyclopropylidenemethyl)-4-(trifluoromethoxy)aniline
CID 89386220

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphoryl-5-(trifluoromethoxy)aniline?
The IUPAC name of 2-dimethylphosphoryl-5-(trifluoromethoxy)aniline (CID 167150983) is 2-dimethylphosphoryl-5-(trifluoromethoxy)aniline.
What is the SMILES notation for 2-dimethylphosphoryl-5-(trifluoromethoxy)aniline?
The canonical SMILES for 2-dimethylphosphoryl-5-(trifluoromethoxy)aniline is CP(C)(=O)c1ccc(OC(F)(F)F)cc1N.
What is the InChIKey of 2-dimethylphosphoryl-5-(trifluoromethoxy)aniline?
The InChIKey is PBNCIODTCVLSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3NO2P/c1-16(2,14)8-4-3-6(5-7(8)13)15-9(10,11)12/h3-5H,13H2,1-2H3.
What are the key properties of 2-dimethylphosphoryl-5-(trifluoromethoxy)aniline?
2-dimethylphosphoryl-5-(trifluoromethoxy)aniline has a molecular weight of 253.16 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphoryl-5-(trifluoromethoxy)aniline is sourced from PubChem (CID 167150983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).