2-dimethylphosphoryl-4-(trifluoromethyl)aniline

C9H11F3NOP — CID 167459884

IUPAC2-dimethylphosphoryl-4-(trifluoromethyl)aniline
SMILESCP(C)(=O)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C9H11F3NOP/c1-15(2,14)8-5-6(9(10,11)12)3-4-7(8)13/h3-5H,13H2,1-2H3
InChIKeyGEMKUSDJKYPFIQ-UHFFFAOYSA-N
MW237.16 g/mol
LogP2.54
Rot. Bonds1

About 2-dimethylphosphoryl-4-(trifluoromethyl)aniline

2-dimethylphosphoryl-4-(trifluoromethyl)aniline (PubChem CID 167459884) has the molecular formula C9H11F3NOP and a molecular weight of 237.16 g/mol. Its IUPAC name is 2-dimethylphosphoryl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-dimethylphosphoryl-4-(trifluoromethyl)aniline
PubChem CID167459884
Molecular FormulaC9H11F3NOP
Molecular Weight237.16 g/mol
Exact Mass237.05
IUPAC Name2-dimethylphosphoryl-4-(trifluoromethyl)aniline
SMILESCP(C)(=O)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C9H11F3NOP/c1-15(2,14)8-5-6(9(10,11)12)3-4-7(8)13/h3-5H,13H2,1-2H3
InChIKeyGEMKUSDJKYPFIQ-UHFFFAOYSA-N
XLogP2.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.16
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-dimethylphosphoryl-1-methyl-4-(trifluoromethyl)benzene
CID 117063489
2-diethoxyphosphoryl-5-(trifluoromethyl)aniline
CID 166609975
[2-amino-5-(trifluoromethyl)phenyl]boronic acid
CID 68785619
2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 11506603
2-amino-5-(trifluoromethyl)benzenesulfonamide
CID 11333908
2-dimethylphosphoryl-5-(trifluoromethoxy)aniline
CID 167150983
2-[bis(trideuteriomethyl)phosphoryl]-4-fluoroaniline
CID 168846953
2-amino-4-(trifluoromethyl)benzohydrazide;ethane
CID 145124989
acetic acid;2-amino-4-(trifluoromethyl)phenol
CID 174902727
2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline
CID 96763613
4-dimethylphosphorylbenzene-1,3-diamine
CID 139449916
2-[(Z)-C-methyl-N-(methylideneamino)carbonimidoyl]-4-(trifluoromethyl)aniline
CID 123965171

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphoryl-4-(trifluoromethyl)aniline?
The IUPAC name of 2-dimethylphosphoryl-4-(trifluoromethyl)aniline (CID 167459884) is 2-dimethylphosphoryl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-dimethylphosphoryl-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-dimethylphosphoryl-4-(trifluoromethyl)aniline is CP(C)(=O)c1cc(C(F)(F)F)ccc1N.
What is the InChIKey of 2-dimethylphosphoryl-4-(trifluoromethyl)aniline?
The InChIKey is GEMKUSDJKYPFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3NOP/c1-15(2,14)8-5-6(9(10,11)12)3-4-7(8)13/h3-5H,13H2,1-2H3.
What are the key properties of 2-dimethylphosphoryl-4-(trifluoromethyl)aniline?
2-dimethylphosphoryl-4-(trifluoromethyl)aniline has a molecular weight of 237.16 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphoryl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 167459884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).