ethane;4-fluoro-N'-hydrazinyl-2-methylbenzenecarboximidamide

C10H17FN4 — CID 169270080

IUPACethane;4-fluoro-N'-hydrazinyl-2-methylbenzenecarboximidamide
SMILESCC.Cc1cc(F)ccc1/C(N)=N/NN
InChIInChI=1S/C8H11FN4.C2H6/c1-5-4-6(9)2-3-7(5)8(10)12-13-11;1-2/h2-4,13H,11H2,1H3,(H2,10,12);1-2H3
InChIKeyRYWXFJHPFLXLNB-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.24
Rot. Bonds2

About ethane;4-fluoro-N'-hydrazinyl-2-methylbenzenecarboximidamide

ethane;4-fluoro-N'-hydrazinyl-2-methylbenzenecarboximidamide (PubChem CID 169270080) has the molecular formula C10H17FN4 and a molecular weight of 212.27 g/mol. Its IUPAC name is ethane;4-fluoro-N'-hydrazinyl-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Nameethane;4-fluoro-N'-hydrazinyl-2-methylbenzenecarboximidamide
PubChem CID169270080
Molecular FormulaC10H17FN4
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Nameethane;4-fluoro-N'-hydrazinyl-2-methylbenzenecarboximidamide
SMILESCC.Cc1cc(F)ccc1/C(N)=N/NN
InChIInChI=1S/C8H11FN4.C2H6/c1-5-4-6(9)2-3-7(5)8(10)12-13-11;1-2/h2-4,13H,11H2,1H3,(H2,10,12);1-2H3
InChIKeyRYWXFJHPFLXLNB-UHFFFAOYSA-N
XLogP1.24
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
4-fluoro-N-hydroxy-2-methylbenzenecarboximidoyl chloride
CID 130174120
N'-acetyl-4-fluoro-2-methylbenzohydrazide
CID 115745372
N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide
CID 115745097
2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide
CID 114345876
1-(4-fluoro-2-methylphenyl)butane-1,3-dione
CID 55262326
3-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one
CID 116612404
(4-fluoro-2-methylphenyl)methylhydrazine
CID 62134816
N-(4-amino-4-oxobutyl)-4-fluoro-2-methylbenzamide
CID 112702489
ethane;N-[(Z)-2-(4-fluoro-2-methylphenyl)prop-1-enyl]-N-methylformamide
CID 145172144
(Z)-4-amino-3-(4-fluoro-2-methylphenyl)-4-oxobut-2-enoic acid
CID 172864305
magnesium;4-fluoro-1-methanidyl-2-methylbenzene;chloride
CID 24722704

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-N'-hydrazinyl-2-methylbenzenecarboximidamide?
The IUPAC name of ethane;4-fluoro-N'-hydrazinyl-2-methylbenzenecarboximidamide (CID 169270080) is ethane;4-fluoro-N'-hydrazinyl-2-methylbenzenecarboximidamide.
What is the SMILES notation for ethane;4-fluoro-N'-hydrazinyl-2-methylbenzenecarboximidamide?
The canonical SMILES for ethane;4-fluoro-N'-hydrazinyl-2-methylbenzenecarboximidamide is CC.Cc1cc(F)ccc1/C(N)=N/NN.
What is the InChIKey of ethane;4-fluoro-N'-hydrazinyl-2-methylbenzenecarboximidamide?
The InChIKey is RYWXFJHPFLXLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4.C2H6/c1-5-4-6(9)2-3-7(5)8(10)12-13-11;1-2/h2-4,13H,11H2,1H3,(H2,10,12);1-2H3.
What are the key properties of ethane;4-fluoro-N'-hydrazinyl-2-methylbenzenecarboximidamide?
ethane;4-fluoro-N'-hydrazinyl-2-methylbenzenecarboximidamide has a molecular weight of 212.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-N'-hydrazinyl-2-methylbenzenecarboximidamide is sourced from PubChem (CID 169270080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).