N-(2,2-difluoroethyl)-2-methylthiophene-3-carboxamide

C8H9F2NOS — CID 126790727

IUPACN-(2,2-difluoroethyl)-2-methylthiophene-3-carboxamide
SMILESCc1sccc1C(=O)NCC(F)F
InChIInChI=1S/C8H9F2NOS/c1-5-6(2-3-13-5)8(12)11-4-7(9)10/h2-3,7H,4H2,1H3,(H,11,12)
InChIKeyWOWFUFSRJSMZAV-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.05
Rot. Bonds3

About N-(2,2-difluoroethyl)-2-methylthiophene-3-carboxamide

N-(2,2-difluoroethyl)-2-methylthiophene-3-carboxamide (PubChem CID 126790727) has the molecular formula C8H9F2NOS and a molecular weight of 205.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-methylthiophene-3-carboxamide
PubChem CID126790727
Molecular FormulaC8H9F2NOS
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC NameN-(2,2-difluoroethyl)-2-methylthiophene-3-carboxamide
SMILESCc1sccc1C(=O)NCC(F)F
InChIInChI=1S/C8H9F2NOS/c1-5-6(2-3-13-5)8(12)11-4-7(9)10/h2-3,7H,4H2,1H3,(H,11,12)
InChIKeyWOWFUFSRJSMZAV-UHFFFAOYSA-N
XLogP2.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-methylthiophene-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-methylthiophene-3-carboxamide (CID 126790727) is N-(2,2-difluoroethyl)-2-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-methylthiophene-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-methylthiophene-3-carboxamide is Cc1sccc1C(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-methylthiophene-3-carboxamide?
The InChIKey is WOWFUFSRJSMZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NOS/c1-5-6(2-3-13-5)8(12)11-4-7(9)10/h2-3,7H,4H2,1H3,(H,11,12).
What are the key properties of N-(2,2-difluoroethyl)-2-methylthiophene-3-carboxamide?
N-(2,2-difluoroethyl)-2-methylthiophene-3-carboxamide has a molecular weight of 205.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-methylthiophene-3-carboxamide is sourced from PubChem (CID 126790727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).