N-tert-butyl-5-fluorothiophene-3-carboxamide

C9H12FNOS — CID 154621469

IUPACN-tert-butyl-5-fluorothiophene-3-carboxamide
SMILESCC(C)(C)NC(=O)c1csc(F)c1
InChIInChI=1S/C9H12FNOS/c1-9(2,3)11-8(12)6-4-7(10)13-5-6/h4-5H,1-3H3,(H,11,12)
InChIKeyGEFJDQJIYYMKIA-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.42
Rot. Bonds1

About N-tert-butyl-5-fluorothiophene-3-carboxamide

N-tert-butyl-5-fluorothiophene-3-carboxamide (PubChem CID 154621469) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is N-tert-butyl-5-fluorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-fluorothiophene-3-carboxamide
PubChem CID154621469
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC NameN-tert-butyl-5-fluorothiophene-3-carboxamide
SMILESCC(C)(C)NC(=O)c1csc(F)c1
InChIInChI=1S/C9H12FNOS/c1-9(2,3)11-8(12)6-4-7(10)13-5-6/h4-5H,1-3H3,(H,11,12)
InChIKeyGEFJDQJIYYMKIA-UHFFFAOYSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butylthiophene-3-carboxamide
CID 9794067
N-acetylthiophene-3-carboxamide
CID 12104590
N-Butylthiophene-3-carboxamide
CID 12161492
N-[(2R)-2-cyano-1-methoxypropan-2-yl]thiophene-3-carboxamide
CID 164632129
2-fluoro-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide
CID 89833690
N-(trifluoromethyl)thiophene-3-carboxamide
CID 90993042
N-(1,1,2-trifluoroethyl)thiophene-3-carboxamide
CID 173053511
N-propanoylthiophene-3-carboxamide
CID 12104591
N-butanoylthiophene-3-carboxamide
CID 12104592
N-(2,2-dimethylpropanoyl)thiophene-3-carboxamide
CID 12104593
N-tert-butyl-N-(3-methylbut-2-enyl)thiophene-3-carboxamide
CID 86016929
N-tert-butyl-N-prop-2-enylthiophene-3-carboxamide
CID 86016933

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-fluorothiophene-3-carboxamide?
The IUPAC name of N-tert-butyl-5-fluorothiophene-3-carboxamide (CID 154621469) is N-tert-butyl-5-fluorothiophene-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-fluorothiophene-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-fluorothiophene-3-carboxamide is CC(C)(C)NC(=O)c1csc(F)c1.
What is the InChIKey of N-tert-butyl-5-fluorothiophene-3-carboxamide?
The InChIKey is GEFJDQJIYYMKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c1-9(2,3)11-8(12)6-4-7(10)13-5-6/h4-5H,1-3H3,(H,11,12).
What are the key properties of N-tert-butyl-5-fluorothiophene-3-carboxamide?
N-tert-butyl-5-fluorothiophene-3-carboxamide has a molecular weight of 201.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-fluorothiophene-3-carboxamide is sourced from PubChem (CID 154621469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).