2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide

C8H8F4N2OS — CID 103733646

IUPAC2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(NCCc1cscn1)C(F)(F)C(F)F
InChIInChI=1S/C8H8F4N2OS/c9-6(10)8(11,12)7(15)13-2-1-5-3-16-4-14-5/h3-4,6H,1-2H2,(H,13,15)
InChIKeyYHPMVANFQBLNPN-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.70
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide

2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 103733646) has the molecular formula C8H8F4N2OS and a molecular weight of 256.22 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID103733646
Molecular FormulaC8H8F4N2OS
Molecular Weight256.22 g/mol
Exact Mass256.03
IUPAC Name2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(NCCc1cscn1)C(F)(F)C(F)F
InChIInChI=1S/C8H8F4N2OS/c9-6(10)8(11,12)7(15)13-2-1-5-3-16-4-14-5/h3-4,6H,1-2H2,(H,13,15)
InChIKeyYHPMVANFQBLNPN-UHFFFAOYSA-N
XLogP1.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide (CID 103733646) is 2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide is O=C(NCCc1cscn1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is YHPMVANFQBLNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2OS/c9-6(10)8(11,12)7(15)13-2-1-5-3-16-4-14-5/h3-4,6H,1-2H2,(H,13,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?
2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 256.22 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 103733646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).