N-(2,2-difluoroethyl)-N,4-dimethylthiophene-2-carboxamide

C9H11F2NOS — CID 88947787

IUPACN-(2,2-difluoroethyl)-N,4-dimethylthiophene-2-carboxamide
SMILESCc1csc(C(=O)N(C)CC(F)F)c1
InChIInChI=1S/C9H11F2NOS/c1-6-3-7(14-5-6)9(13)12(2)4-8(10)11/h3,5,8H,4H2,1-2H3
InChIKeyMJRWXCORDMYKSA-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.39
Rot. Bonds3

About N-(2,2-difluoroethyl)-N,4-dimethylthiophene-2-carboxamide

N-(2,2-difluoroethyl)-N,4-dimethylthiophene-2-carboxamide (PubChem CID 88947787) has the molecular formula C9H11F2NOS and a molecular weight of 219.26 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N,4-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N,4-dimethylthiophene-2-carboxamide
PubChem CID88947787
Molecular FormulaC9H11F2NOS
Molecular Weight219.26 g/mol
Exact Mass219.05
IUPAC NameN-(2,2-difluoroethyl)-N,4-dimethylthiophene-2-carboxamide
SMILESCc1csc(C(=O)N(C)CC(F)F)c1
InChIInChI=1S/C9H11F2NOS/c1-6-3-7(14-5-6)9(13)12(2)4-8(10)11/h3,5,8H,4H2,1-2H3
InChIKeyMJRWXCORDMYKSA-UHFFFAOYSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N,4-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N,4-dimethylthiophene-2-carboxamide (CID 88947787) is N-(2,2-difluoroethyl)-N,4-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N,4-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N,4-dimethylthiophene-2-carboxamide is Cc1csc(C(=O)N(C)CC(F)F)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-N,4-dimethylthiophene-2-carboxamide?
The InChIKey is MJRWXCORDMYKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NOS/c1-6-3-7(14-5-6)9(13)12(2)4-8(10)11/h3,5,8H,4H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N,4-dimethylthiophene-2-carboxamide?
N-(2,2-difluoroethyl)-N,4-dimethylthiophene-2-carboxamide has a molecular weight of 219.26 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N,4-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 88947787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).