3,3,3-trifluoro-N-hydroxy-2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide

C11H14F3NO2S — CID 156784546

IUPAC3,3,3-trifluoro-N-hydroxy-2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccsc1CN(O)C(=O)C(C)(C)C(F)(F)F
InChIInChI=1S/C11H14F3NO2S/c1-7-4-5-18-8(7)6-15(17)9(16)10(2,3)11(12,13)14/h4-5,17H,6H2,1-3H3
InChIKeyVUISRMVMNTXGDL-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.36
Rot. Bonds3

About 3,3,3-trifluoro-N-hydroxy-2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide

3,3,3-trifluoro-N-hydroxy-2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide (PubChem CID 156784546) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-hydroxy-2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-hydroxy-2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
PubChem CID156784546
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name3,3,3-trifluoro-N-hydroxy-2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccsc1CN(O)C(=O)C(C)(C)C(F)(F)F
InChIInChI=1S/C11H14F3NO2S/c1-7-4-5-18-8(7)6-15(17)9(16)10(2,3)11(12,13)14/h4-5,17H,6H2,1-3H3
InChIKeyVUISRMVMNTXGDL-UHFFFAOYSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-hydroxy-2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-hydroxy-2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide (CID 156784546) is 3,3,3-trifluoro-N-hydroxy-2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-hydroxy-2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-hydroxy-2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide is Cc1ccsc1CN(O)C(=O)C(C)(C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-hydroxy-2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The InChIKey is VUISRMVMNTXGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-7-4-5-18-8(7)6-15(17)9(16)10(2,3)11(12,13)14/h4-5,17H,6H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-N-hydroxy-2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide?
3,3,3-trifluoro-N-hydroxy-2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide has a molecular weight of 281.30 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-hydroxy-2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 156784546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).