2-dimethylphosphoryl-3,5-difluoroaniline

C8H10F2NOP — CID 167150953

IUPAC2-dimethylphosphoryl-3,5-difluoroaniline
SMILESCP(C)(=O)c1c(N)cc(F)cc1F
InChIInChI=1S/C8H10F2NOP/c1-13(2,12)8-6(10)3-5(9)4-7(8)11/h3-4H,11H2,1-2H3
InChIKeyUVYZFGORXLNKJW-UHFFFAOYSA-N
MW205.14 g/mol
LogP1.79
Rot. Bonds1

About 2-dimethylphosphoryl-3,5-difluoroaniline

2-dimethylphosphoryl-3,5-difluoroaniline (PubChem CID 167150953) has the molecular formula C8H10F2NOP and a molecular weight of 205.14 g/mol. Its IUPAC name is 2-dimethylphosphoryl-3,5-difluoroaniline.

Molecular Properties

Compound Name2-dimethylphosphoryl-3,5-difluoroaniline
PubChem CID167150953
Molecular FormulaC8H10F2NOP
Molecular Weight205.14 g/mol
Exact Mass205.05
IUPAC Name2-dimethylphosphoryl-3,5-difluoroaniline
SMILESCP(C)(=O)c1c(N)cc(F)cc1F
InChIInChI=1S/C8H10F2NOP/c1-13(2,12)8-6(10)3-5(9)4-7(8)11/h3-4H,11H2,1-2H3
InChIKeyUVYZFGORXLNKJW-UHFFFAOYSA-N
XLogP1.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 51.79
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

5-bromo-2-dimethylphosphoryl-3-fluoroaniline
CID 171643544
ethane;molecular hydrogen;2,3,5-trifluoroaniline
CID 145314884
3,5-difluoro-2-(trifluoromethyl)aniline
CID 2783410
2-amino-4,6-difluoro-N,N-dimethylbenzamide
CID 70098620
N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 81305049
2-amino-4,6-difluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 70098730
2,5-difluoroaniline;ethane
CID 143759951
2-ethenyl-3-ethyl-5-fluoroaniline
CID 142576679
2-(2-amino-4,6-difluorophenyl)acetic acid
CID 121232026
3-(2-amino-4,6-difluorophenyl)-1-ethyl-1-methylurea
CID 81310656
1-bromo-2-diethoxyphosphoryl-3,5-difluorobenzene
CID 166609875
2-(2,4,6-trifluorophenyl)prop-2-enamide
CID 142441728

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphoryl-3,5-difluoroaniline?
The IUPAC name of 2-dimethylphosphoryl-3,5-difluoroaniline (CID 167150953) is 2-dimethylphosphoryl-3,5-difluoroaniline.
What is the SMILES notation for 2-dimethylphosphoryl-3,5-difluoroaniline?
The canonical SMILES for 2-dimethylphosphoryl-3,5-difluoroaniline is CP(C)(=O)c1c(N)cc(F)cc1F.
What is the InChIKey of 2-dimethylphosphoryl-3,5-difluoroaniline?
The InChIKey is UVYZFGORXLNKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2NOP/c1-13(2,12)8-6(10)3-5(9)4-7(8)11/h3-4H,11H2,1-2H3.
What are the key properties of 2-dimethylphosphoryl-3,5-difluoroaniline?
2-dimethylphosphoryl-3,5-difluoroaniline has a molecular weight of 205.14 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphoryl-3,5-difluoroaniline is sourced from PubChem (CID 167150953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).