2-(2-amino-5-fluorophenyl)-2-methylbutanoyl chloride

C11H13ClFNO — CID 117047854

IUPAC2-(2-amino-5-fluorophenyl)-2-methylbutanoyl chloride
SMILESCCC(C)(C(=O)Cl)c1cc(F)ccc1N
InChIInChI=1S/C11H13ClFNO/c1-3-11(2,10(12)15)8-6-7(13)4-5-9(8)14/h4-6H,3,14H2,1-2H3
InChIKeyIGVPJZWSEFYTJR-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.84
Rot. Bonds3

About 2-(2-amino-5-fluorophenyl)-2-methylbutanoyl chloride

2-(2-amino-5-fluorophenyl)-2-methylbutanoyl chloride (PubChem CID 117047854) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)-2-methylbutanoyl chloride.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)-2-methylbutanoyl chloride
PubChem CID117047854
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name2-(2-amino-5-fluorophenyl)-2-methylbutanoyl chloride
SMILESCCC(C)(C(=O)Cl)c1cc(F)ccc1N
InChIInChI=1S/C11H13ClFNO/c1-3-11(2,10(12)15)8-6-7(13)4-5-9(8)14/h4-6H,3,14H2,1-2H3
InChIKeyIGVPJZWSEFYTJR-UHFFFAOYSA-N
XLogP2.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-difluorophenyl)-2-methylbutanoyl chloride
CID 117047827
2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylbutanoyl chloride
CID 117047857
2-amino-2-(2-amino-5-fluorophenyl)propan-1-ol
CID 55294956
2-(2-amino-5-fluorophenyl)-2-methyl-3-pyridin-4-ylpropanoic acid
CID 117048965
N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide
CID 28691399
2-[(2R)-2-aminobutan-2-yl]-4-fluorophenol
CID 130673936
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylbutan-1-one
CID 146008829
2-(4-amino-2-fluorophenyl)-2-methylbutanoic acid
CID 117047700
3-(2-chloro-5-fluorophenyl)pentan-3-ol
CID 105393736
4-fluoro-2-(2-methylbutan-2-yloxy)aniline
CID 62377670
2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384161
2-[(2-chloro-5-fluorophenyl)methyl]-2-methylbutanoic acid
CID 102616919

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)-2-methylbutanoyl chloride?
The IUPAC name of 2-(2-amino-5-fluorophenyl)-2-methylbutanoyl chloride (CID 117047854) is 2-(2-amino-5-fluorophenyl)-2-methylbutanoyl chloride.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)-2-methylbutanoyl chloride?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)-2-methylbutanoyl chloride is CCC(C)(C(=O)Cl)c1cc(F)ccc1N.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)-2-methylbutanoyl chloride?
The InChIKey is IGVPJZWSEFYTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-3-11(2,10(12)15)8-6-7(13)4-5-9(8)14/h4-6H,3,14H2,1-2H3.
What are the key properties of 2-(2-amino-5-fluorophenyl)-2-methylbutanoyl chloride?
2-(2-amino-5-fluorophenyl)-2-methylbutanoyl chloride has a molecular weight of 229.68 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenyl)-2-methylbutanoyl chloride is sourced from PubChem (CID 117047854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).