[3-(trifluoromethyl)phenyl]methylphosphonamidic acid

C8H9F3NO2P — CID 57291400

IUPAC[3-(trifluoromethyl)phenyl]methylphosphonamidic acid
SMILESNP(=O)(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H9F3NO2P/c9-8(10,11)7-3-1-2-6(4-7)5-15(12,13)14/h1-4H,5H2,(H3,12,13,14)
InChIKeyPXEGJNUGCYSPTF-UHFFFAOYSA-N
MW239.13 g/mol
LogP2.35
Rot. Bonds2

About [3-(trifluoromethyl)phenyl]methylphosphonamidic acid

[3-(trifluoromethyl)phenyl]methylphosphonamidic acid (PubChem CID 57291400) has the molecular formula C8H9F3NO2P and a molecular weight of 239.13 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl]methylphosphonamidic acid.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl]methylphosphonamidic acid
PubChem CID57291400
Molecular FormulaC8H9F3NO2P
Molecular Weight239.13 g/mol
Exact Mass239.03
IUPAC Name[3-(trifluoromethyl)phenyl]methylphosphonamidic acid
SMILESNP(=O)(O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H9F3NO2P/c9-8(10,11)7-3-1-2-6(4-7)5-15(12,13)14/h1-4H,5H2,(H3,12,13,14)
InChIKeyPXEGJNUGCYSPTF-UHFFFAOYSA-N
XLogP2.35
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.13
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[hydroxy-[[3-(trifluoromethyl)phenyl]methyl]phosphoryl]ethyl]pentanedioic acid
CID 19357676
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-[[hydroxy-[[3-(trifluoromethyl)phenyl]methyl]phosphoryl]amino]pentanedioic acid
CID 18472848
1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116548555
acetic acid;[3-(trifluoromethyl)phenyl]methanol
CID 71340400
2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide
CID 104513003
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]ethanamine
CID 58684611
[3-(trifluoromethyl)phenyl]methyl 3-aminobenzoate
CID 60665378
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl]methylphosphonamidic acid?
The IUPAC name of [3-(trifluoromethyl)phenyl]methylphosphonamidic acid (CID 57291400) is [3-(trifluoromethyl)phenyl]methylphosphonamidic acid.
What is the SMILES notation for [3-(trifluoromethyl)phenyl]methylphosphonamidic acid?
The canonical SMILES for [3-(trifluoromethyl)phenyl]methylphosphonamidic acid is NP(=O)(O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethyl)phenyl]methylphosphonamidic acid?
The InChIKey is PXEGJNUGCYSPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3NO2P/c9-8(10,11)7-3-1-2-6(4-7)5-15(12,13)14/h1-4H,5H2,(H3,12,13,14).
What are the key properties of [3-(trifluoromethyl)phenyl]methylphosphonamidic acid?
[3-(trifluoromethyl)phenyl]methylphosphonamidic acid has a molecular weight of 239.13 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl]methylphosphonamidic acid is sourced from PubChem (CID 57291400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).