4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-carboxamide

C9H9F4NOS — CID 99795521

IUPAC4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C9H9F4NOS/c1-5-2-16-3-6(5)7(15)14-4-9(12,13)8(10)11/h2-3,8H,4H2,1H3,(H,14,15)
InChIKeyUKNSQHWNKDWONW-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.69
Rot. Bonds4

About 4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-carboxamide

4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-carboxamide (PubChem CID 99795521) has the molecular formula C9H9F4NOS and a molecular weight of 255.24 g/mol. Its IUPAC name is 4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-carboxamide
PubChem CID99795521
Molecular FormulaC9H9F4NOS
Molecular Weight255.24 g/mol
Exact Mass255.03
IUPAC Name4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C9H9F4NOS/c1-5-2-16-3-6(5)7(15)14-4-9(12,13)8(10)11/h2-3,8H,4H2,1H3,(H,14,15)
InChIKeyUKNSQHWNKDWONW-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-carboxamide?
The IUPAC name of 4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-carboxamide (CID 99795521) is 4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-carboxamide?
The canonical SMILES for 4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-carboxamide is Cc1cscc1C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-carboxamide?
The InChIKey is UKNSQHWNKDWONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NOS/c1-5-2-16-3-6(5)7(15)14-4-9(12,13)8(10)11/h2-3,8H,4H2,1H3,(H,14,15).
What are the key properties of 4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-carboxamide?
4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-carboxamide has a molecular weight of 255.24 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-3-carboxamide is sourced from PubChem (CID 99795521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).