3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trichloroanilino)methyl]propanimidamide

C10H9Cl3F3N3O — CID 103369603

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trichloroanilino)methyl]propanimidamide
SMILESNC(=NO)C(CNc1c(Cl)cc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C10H9Cl3F3N3O/c11-4-1-6(12)8(7(13)2-4)18-3-5(9(17)19-20)10(14,15)16/h1-2,5,18,20H,3H2,(H2,17,19)
InChIKeyPYXOWBGTTCIKMF-UHFFFAOYSA-N
MW350.56 g/mol
LogP3.98
Rot. Bonds4

About 3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trichloroanilino)methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trichloroanilino)methyl]propanimidamide (PubChem CID 103369603) has the molecular formula C10H9Cl3F3N3O and a molecular weight of 350.56 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trichloroanilino)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trichloroanilino)methyl]propanimidamide
PubChem CID103369603
Molecular FormulaC10H9Cl3F3N3O
Molecular Weight350.56 g/mol
Exact Mass348.98
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trichloroanilino)methyl]propanimidamide
SMILESNC(=NO)C(CNc1c(Cl)cc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C10H9Cl3F3N3O/c11-4-1-6(12)8(7(13)2-4)18-3-5(9(17)19-20)10(14,15)16/h1-2,5,18,20H,3H2,(H2,17,19)
InChIKeyPYXOWBGTTCIKMF-UHFFFAOYSA-N
XLogP3.98
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.56
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4,6-trichloro-N-(2,2-difluoroethyl)aniline
CID 60922157
3-[2-chloro-6-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide
CID 64329156
3-(2-chloro-4-fluoroanilino)-N'-hydroxypentanimidamide
CID 64330577
3-(4-chloro-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 64336477
3-(4-chloro-3-fluoroanilino)-N'-hydroxypentanimidamide
CID 64337852
2,4,6-trichloro-N-(3,3,3-trifluoropropyl)aniline
CID 64554390
3-[2-chloro-6-(trifluoromethyl)anilino]-N'-hydroxy-2-methylpropanimidamide
CID 77025253
5-[2-chloro-6-(trifluoromethyl)anilino]-N'-hydroxypentanimidamide
CID 77025255
4-[2-chloro-6-(trifluoromethyl)anilino]-N'-hydroxybutanimidamide
CID 77025507
3-[2-chloro-6-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide
CID 77027144
3-(5-chloro-2-fluoroanilino)-N'-hydroxy-2-methylpropanimidamide
CID 77027327
3-(2-chloro-4-fluoroanilino)-N'-hydroxypropanimidamide
CID 77027932

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trichloroanilino)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trichloroanilino)methyl]propanimidamide (CID 103369603) is 3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trichloroanilino)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trichloroanilino)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trichloroanilino)methyl]propanimidamide is NC(=NO)C(CNc1c(Cl)cc(Cl)cc1Cl)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trichloroanilino)methyl]propanimidamide?
The InChIKey is PYXOWBGTTCIKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3F3N3O/c11-4-1-6(12)8(7(13)2-4)18-3-5(9(17)19-20)10(14,15)16/h1-2,5,18,20H,3H2,(H2,17,19).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trichloroanilino)methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trichloroanilino)methyl]propanimidamide has a molecular weight of 350.56 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trichloroanilino)methyl]propanimidamide is sourced from PubChem (CID 103369603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).