2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C11H12ClF3N2O2 — CID 103370450

IUPAC2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCc1ccc(OCC(/C(N)=N/O)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C11H12ClF3N2O2/c1-6-2-3-9(8(12)4-6)19-5-7(10(16)17-18)11(13,14)15/h2-4,7,18H,5H2,1H3,(H2,16,17)
InChIKeyYGMFWZCCYSXXMU-UHFFFAOYSA-N
MW296.68 g/mol
LogP2.95
Rot. Bonds4

About 2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103370450) has the molecular formula C11H12ClF3N2O2 and a molecular weight of 296.68 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103370450
Molecular FormulaC11H12ClF3N2O2
Molecular Weight296.68 g/mol
Exact Mass296.05
IUPAC Name2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCc1ccc(OCC(/C(N)=N/O)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C11H12ClF3N2O2/c1-6-2-3-9(8(12)4-6)19-5-7(10(16)17-18)11(13,14)15/h2-4,7,18H,5H2,1H3,(H2,16,17)
InChIKeyYGMFWZCCYSXXMU-UHFFFAOYSA-N
XLogP2.95
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 52.95
H-Bond Donors ≤ 52
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-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366797
N'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
CID 43368358
3-(2-chloro-4-methylphenoxy)-2-methylpropanimidamide
CID 115002336
2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine
CID 62671114
(2R)-1-(2-chloro-4-methylphenoxy)-3-methoxypropan-2-ol
CID 167829442
2-[(4-chloro-2-methylphenoxy)methyl]-3,3,3-trifluoropropanethioamide
CID 103369023
4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 76953401
3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 62672408
2-[(2-chloro-4-fluorophenoxy)methyl]-3,3,3-trifluoropropanoic acid
CID 103372200
2-chloro-1-(2,2-diethoxyethoxy)-4-methylbenzene
CID 63628940
2-[(4-chloro-3-methoxyanilino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 107622049
2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930246

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103370450) is 2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is Cc1ccc(OCC(/C(N)=N/O)C(F)(F)F)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is YGMFWZCCYSXXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O2/c1-6-2-3-9(8(12)4-6)19-5-7(10(16)17-18)11(13,14)15/h2-4,7,18H,5H2,1H3,(H2,16,17).
What are the key properties of 2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 296.68 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103370450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).