N-tert-butyl-3-(fluoromethyl)thiophene-2-carboxamide

C10H14FNOS — CID 134853576

IUPACN-tert-butyl-3-(fluoromethyl)thiophene-2-carboxamide
SMILESCC(C)(C)NC(=O)c1sccc1CF
InChIInChI=1S/C10H14FNOS/c1-10(2,3)12-9(13)8-7(6-11)4-5-14-8/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyFGOJOHBCUOGNND-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.75
Rot. Bonds2

About N-tert-butyl-3-(fluoromethyl)thiophene-2-carboxamide

N-tert-butyl-3-(fluoromethyl)thiophene-2-carboxamide (PubChem CID 134853576) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is N-tert-butyl-3-(fluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(fluoromethyl)thiophene-2-carboxamide
PubChem CID134853576
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC NameN-tert-butyl-3-(fluoromethyl)thiophene-2-carboxamide
SMILESCC(C)(C)NC(=O)c1sccc1CF
InChIInChI=1S/C10H14FNOS/c1-10(2,3)12-9(13)8-7(6-11)4-5-14-8/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyFGOJOHBCUOGNND-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(fluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-tert-butyl-3-(fluoromethyl)thiophene-2-carboxamide (CID 134853576) is N-tert-butyl-3-(fluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(fluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-tert-butyl-3-(fluoromethyl)thiophene-2-carboxamide is CC(C)(C)NC(=O)c1sccc1CF.
What is the InChIKey of N-tert-butyl-3-(fluoromethyl)thiophene-2-carboxamide?
The InChIKey is FGOJOHBCUOGNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-10(2,3)12-9(13)8-7(6-11)4-5-14-8/h4-5H,6H2,1-3H3,(H,12,13).
What are the key properties of N-tert-butyl-3-(fluoromethyl)thiophene-2-carboxamide?
N-tert-butyl-3-(fluoromethyl)thiophene-2-carboxamide has a molecular weight of 215.29 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(fluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 134853576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).