4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide

C11H15FN2O2 — CID 80695553

IUPAC4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)cc(C)c1OCCF
InChIInChI=1S/C11H15FN2O2/c1-7-5-9(11(13)14-15)6-8(2)10(7)16-4-3-12/h5-6,15H,3-4H2,1-2H3,(H2,13,14)
InChIKeyKOUFZUIYUBITMM-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.75
Rot. Bonds4

About 4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide

4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide (PubChem CID 80695553) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
PubChem CID80695553
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)cc(C)c1OCCF
InChIInChI=1S/C11H15FN2O2/c1-7-5-9(11(13)14-15)6-8(2)10(7)16-4-3-12/h5-6,15H,3-4H2,1-2H3,(H2,13,14)
InChIKeyKOUFZUIYUBITMM-UHFFFAOYSA-N
XLogP1.75
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.75
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'}

Analyze 4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-4-methoxy-3,5-dimethylbenzenecarboximidamide
CID 65470982
4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 77068953
N'-hydroxy-3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]benzenecarboximidamide
CID 114528109
4-(3-fluoropropoxy)-3,5-dimethylbenzenecarbothioamide
CID 81105439
N'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide
CID 77068937
5-tert-butyl-2-(2-fluoroethoxy)-1,3-dimethylbenzene
CID 143945190
4-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 77068888
2-[2-chloro-4-(N'-hydroxycarbamimidoyl)-6-methylphenoxy]acetic acid
CID 173435683
3-ethyl-N'-hydroxy-5-methyl-4-prop-2-enoxybenzenecarboximidamide
CID 72529763
3,5-difluoro-4-hexoxy-N'-hydroxybenzenecarboximidamide
CID 81285934
2-hydroxy-N-[(2S)-2-hydroxy-3-[4-(N'-hydroxycarbamimidoyl)-2,6-dimethylphenoxy]propyl]acetamide
CID 86646442
4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 60929088

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide?
The IUPAC name of 4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide (CID 80695553) is 4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide.
What is the SMILES notation for 4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide?
The canonical SMILES for 4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide is Cc1cc(/C(N)=N/O)cc(C)c1OCCF.
What is the InChIKey of 4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide?
The InChIKey is KOUFZUIYUBITMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7-5-9(11(13)14-15)6-8(2)10(7)16-4-3-12/h5-6,15H,3-4H2,1-2H3,(H2,13,14).
What are the key properties of 4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide?
4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide has a molecular weight of 226.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide is sourced from PubChem (CID 80695553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).