N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

C11H14F3NOS — CID 78877761

IUPACN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1ccsc1
InChIInChI=1S/C11H14F3NOS/c1-8(2)5-15(7-11(12,13)14)10(16)9-3-4-17-6-9/h3-4,6,8H,5,7H2,1-2H3
InChIKeyWASHOKMQXCKWJG-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.41
Rot. Bonds4

About N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 78877761) has the molecular formula C11H14F3NOS and a molecular weight of 265.30 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID78877761
Molecular FormulaC11H14F3NOS
Molecular Weight265.30 g/mol
Exact Mass265.07
IUPAC NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1ccsc1
InChIInChI=1S/C11H14F3NOS/c1-8(2)5-15(7-11(12,13)14)10(16)9-3-4-17-6-9/h3-4,6,8H,5,7H2,1-2H3
InChIKeyWASHOKMQXCKWJG-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 78877761) is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)c1ccsc1.
What is the InChIKey of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is WASHOKMQXCKWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NOS/c1-8(2)5-15(7-11(12,13)14)10(16)9-3-4-17-6-9/h3-4,6,8H,5,7H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 265.30 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 78877761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).