2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide

C9H11FN2O — CID 114345876

IUPAC2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide
SMILESCc1cc(F)ccc1C/C(N)=N/O
InChIInChI=1S/C9H11FN2O/c1-6-4-8(10)3-2-7(6)5-9(11)12-13/h2-4,13H,5H2,1H3,(H2,11,12)
InChIKeyQDVDFPQJGVUJNG-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.42
Rot. Bonds2

About 2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide

2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide (PubChem CID 114345876) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide
PubChem CID114345876
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide
SMILESCc1cc(F)ccc1C/C(N)=N/O
InChIInChI=1S/C9H11FN2O/c1-6-4-8(10)3-2-7(6)5-9(11)12-13/h2-4,13H,5H2,1H3,(H2,11,12)
InChIKeyQDVDFPQJGVUJNG-UHFFFAOYSA-N
XLogP1.42
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-fluoro-2-methylphenyl)acetic acid
CID 5016950
N'-hydroxy-2-(2-methylphenyl)ethanimidamide
CID 6001694
2-[cyclopentyl-[(4-fluoro-2-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide
CID 114346073
(4-fluoro-2-methylphenyl)methyl N'-aminocarbamimidothioate
CID 114349704
2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 105371860
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
(4-fluoro-2-methylphenyl)methylhydrazine
CID 62134816
2-(2,4-dihydroxyphenyl)-N'-hydroxyethanimidamide
CID 57270874
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
(Z)-5-(4-fluoro-2-methylphenyl)-4-methylpent-3-en-1-amine
CID 114350051
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114346077
1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347353

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide (CID 114345876) is 2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide is Cc1cc(F)ccc1C/C(N)=N/O.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide?
The InChIKey is QDVDFPQJGVUJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-6-4-8(10)3-2-7(6)5-9(11)12-13/h2-4,13H,5H2,1H3,(H2,11,12).
What are the key properties of 2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide?
2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide has a molecular weight of 182.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 114345876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).