4-(diethoxyphosphorylmethyl)-2-fluoroaniline

C11H17FNO3P — CID 86697720

IUPAC4-(diethoxyphosphorylmethyl)-2-fluoroaniline
SMILESCCOP(=O)(Cc1ccc(N)c(F)c1)OCC
InChIInChI=1S/C11H17FNO3P/c1-3-15-17(14,16-4-2)8-9-5-6-11(13)10(12)7-9/h5-7H,3-4,8,13H2,1-2H3
InChIKeyUJVVTRZQBHQHLD-UHFFFAOYSA-N
MW261.23 g/mol
LogP3.17
Rot. Bonds6

About 4-(diethoxyphosphorylmethyl)-2-fluoroaniline

4-(diethoxyphosphorylmethyl)-2-fluoroaniline (PubChem CID 86697720) has the molecular formula C11H17FNO3P and a molecular weight of 261.23 g/mol. Its IUPAC name is 4-(diethoxyphosphorylmethyl)-2-fluoroaniline.

Molecular Properties

Compound Name4-(diethoxyphosphorylmethyl)-2-fluoroaniline
PubChem CID86697720
Molecular FormulaC11H17FNO3P
Molecular Weight261.23 g/mol
Exact Mass261.09
IUPAC Name4-(diethoxyphosphorylmethyl)-2-fluoroaniline
SMILESCCOP(=O)(Cc1ccc(N)c(F)c1)OCC
InChIInChI=1S/C11H17FNO3P/c1-3-15-17(14,16-4-2)8-9-5-6-11(13)10(12)7-9/h5-7H,3-4,8,13H2,1-2H3
InChIKeyUJVVTRZQBHQHLD-UHFFFAOYSA-N
XLogP3.17
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(diethoxyphosphorylmethyl)-3-fluoroaniline
CID 166609654
1-(diethoxyphosphorylmethyl)-4-[tris[4-(diethoxyphosphorylmethyl)phenyl]methyl]benzene
CID 10920093
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
4-(diethoxyphosphorylmethyl)-2-methylbenzonitrile
CID 71387702
2-bromo-7-(diethoxyphosphorylmethyl)-9,9-dimethylfluorene
CID 59412972
2-fluoro-4-pentylaniline
CID 146198864
ethyl 5-(diethoxyphosphorylmethyl)-1-benzofuran-2-carboxylate
CID 58572810
1,3-bis(diethoxyphosphorylmethyl)-5-[[ethoxy(methyl)phosphoryl]methyl]benzene;propane
CID 142864650
4-[4-(diethoxyphosphorylmethyl)phenyl]benzenesulfonyl fluoride
CID 88775092
1,3-bis(diethoxyphosphorylmethyl)-5-nitrobenzene
CID 132525939
2-fluoro-4-(iodomethyl)aniline
CID 160977967
4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline
CID 82965656

Frequently Asked Questions

What is the IUPAC name of 4-(diethoxyphosphorylmethyl)-2-fluoroaniline?
The IUPAC name of 4-(diethoxyphosphorylmethyl)-2-fluoroaniline (CID 86697720) is 4-(diethoxyphosphorylmethyl)-2-fluoroaniline.
What is the SMILES notation for 4-(diethoxyphosphorylmethyl)-2-fluoroaniline?
The canonical SMILES for 4-(diethoxyphosphorylmethyl)-2-fluoroaniline is CCOP(=O)(Cc1ccc(N)c(F)c1)OCC.
What is the InChIKey of 4-(diethoxyphosphorylmethyl)-2-fluoroaniline?
The InChIKey is UJVVTRZQBHQHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FNO3P/c1-3-15-17(14,16-4-2)8-9-5-6-11(13)10(12)7-9/h5-7H,3-4,8,13H2,1-2H3.
What are the key properties of 4-(diethoxyphosphorylmethyl)-2-fluoroaniline?
4-(diethoxyphosphorylmethyl)-2-fluoroaniline has a molecular weight of 261.23 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxyphosphorylmethyl)-2-fluoroaniline is sourced from PubChem (CID 86697720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).