N-(2,2-difluoroethyl)thiophene-2-carboxamide

C7H7F2NOS — CID 79079577

IUPACN-(2,2-difluoroethyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)F)c1cccs1
InChIInChI=1S/C7H7F2NOS/c8-6(9)4-10-7(11)5-2-1-3-12-5/h1-3,6H,4H2,(H,10,11)
InChIKeyRWFITHSRGDABQF-UHFFFAOYSA-N
MW191.20 g/mol
LogP1.74
Rot. Bonds3

About N-(2,2-difluoroethyl)thiophene-2-carboxamide

N-(2,2-difluoroethyl)thiophene-2-carboxamide (PubChem CID 79079577) has the molecular formula C7H7F2NOS and a molecular weight of 191.20 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)thiophene-2-carboxamide
PubChem CID79079577
Molecular FormulaC7H7F2NOS
Molecular Weight191.20 g/mol
Exact Mass191.02
IUPAC NameN-(2,2-difluoroethyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)F)c1cccs1
InChIInChI=1S/C7H7F2NOS/c8-6(9)4-10-7(11)5-2-1-3-12-5/h1-3,6H,4H2,(H,10,11)
InChIKeyRWFITHSRGDABQF-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 51.74
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)thiophene-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)thiophene-2-carboxamide (CID 79079577) is N-(2,2-difluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)thiophene-2-carboxamide is O=C(NCC(F)F)c1cccs1.
What is the InChIKey of N-(2,2-difluoroethyl)thiophene-2-carboxamide?
The InChIKey is RWFITHSRGDABQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NOS/c8-6(9)4-10-7(11)5-2-1-3-12-5/h1-3,6H,4H2,(H,10,11).
What are the key properties of N-(2,2-difluoroethyl)thiophene-2-carboxamide?
N-(2,2-difluoroethyl)thiophene-2-carboxamide has a molecular weight of 191.20 g/mol, XLogP of 1.74, 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)thiophene-2-carboxamide is sourced from PubChem (CID 79079577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).