N-(1-fluoro-2-methylpropan-2-yl)thiophene-3-carboxamide

C9H12FNOS — CID 126782109

IUPACN-(1-fluoro-2-methylpropan-2-yl)thiophene-3-carboxamide
SMILESCC(C)(CF)NC(=O)c1ccsc1
InChIInChI=1S/C9H12FNOS/c1-9(2,6-10)11-8(12)7-3-4-13-5-7/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyCZPXHHOBVAAPHP-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.23
Rot. Bonds3

About N-(1-fluoro-2-methylpropan-2-yl)thiophene-3-carboxamide

N-(1-fluoro-2-methylpropan-2-yl)thiophene-3-carboxamide (PubChem CID 126782109) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)thiophene-3-carboxamide
PubChem CID126782109
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)thiophene-3-carboxamide
SMILESCC(C)(CF)NC(=O)c1ccsc1
InChIInChI=1S/C9H12FNOS/c1-9(2,6-10)11-8(12)7-3-4-13-5-7/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyCZPXHHOBVAAPHP-UHFFFAOYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)thiophene-3-carboxamide?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)thiophene-3-carboxamide (CID 126782109) is N-(1-fluoro-2-methylpropan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)thiophene-3-carboxamide is CC(C)(CF)NC(=O)c1ccsc1.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)thiophene-3-carboxamide?
The InChIKey is CZPXHHOBVAAPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c1-9(2,6-10)11-8(12)7-3-4-13-5-7/h3-5H,6H2,1-2H3,(H,11,12).
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)thiophene-3-carboxamide?
N-(1-fluoro-2-methylpropan-2-yl)thiophene-3-carboxamide has a molecular weight of 201.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-methylpropan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 126782109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).