1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide

C12H15FN2O — CID 116844264

IUPAC1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide
SMILESCc1cc(C2(C(=O)NN)CCC2)ccc1F
InChIInChI=1S/C12H15FN2O/c1-8-7-9(3-4-10(8)13)12(5-2-6-12)11(16)15-14/h3-4,7H,2,5-6,14H2,1H3,(H,15,16)
InChIKeyRASJERRWZGUEEP-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.55
Rot. Bonds2

About 1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide

1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide (PubChem CID 116844264) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide
PubChem CID116844264
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide
SMILESCc1cc(C2(C(=O)NN)CCC2)ccc1F
InChIInChI=1S/C12H15FN2O/c1-8-7-9(3-4-10(8)13)12(5-2-6-12)11(16)15-14/h3-4,7H,2,5-6,14H2,1H3,(H,15,16)
InChIKeyRASJERRWZGUEEP-UHFFFAOYSA-N
XLogP1.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide
CID 116844496
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide
CID 116844399
1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide
CID 116844354
1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide
CID 116844330
1-(4-ethylphenyl)cyclobutane-1-carbohydrazide
CID 116844257
1-[3-(4-fluoro-3-methylphenyl)oxetan-3-yl]ethanone
CID 116873695
1-(5-bromo-2-methylphenyl)cyclobutane-1-carbohydrazide
CID 116844351
1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219
methyl 1-(3,4-difluorophenyl)cyclobutane-1-carboxylate
CID 116963872
1-(2-methyl-1,3-benzoxazol-6-yl)cyclopentane-1-carbohydrazide
CID 116844450
4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide
CID 116844569
1-(4-ethoxyphenyl)cyclobutane-1-carbohydrazide
CID 116844292

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide (CID 116844264) is 1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide is Cc1cc(C2(C(=O)NN)CCC2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide?
The InChIKey is RASJERRWZGUEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8-7-9(3-4-10(8)13)12(5-2-6-12)11(16)15-14/h3-4,7H,2,5-6,14H2,1H3,(H,15,16).
What are the key properties of 1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide?
1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide has a molecular weight of 222.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide is sourced from PubChem (CID 116844264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).