2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(1,3-thiazol-2-yl)heptanamide

C10H4F12N2OS — CID 4266920

IUPAC2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(1,3-thiazol-2-yl)heptanamide
SMILESO=C(Nc1nccs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H4F12N2OS/c11-3(12)6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)4(25)24-5-23-1-2-26-5/h1-3H,(H,23,24,25)
InChIKeyZXKQQDPAMNWYFZ-UHFFFAOYSA-N
MW428.20 g/mol
LogP4.52
Rot. Bonds7

About 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(1,3-thiazol-2-yl)heptanamide

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(1,3-thiazol-2-yl)heptanamide (PubChem CID 4266920) has the molecular formula C10H4F12N2OS and a molecular weight of 428.20 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(1,3-thiazol-2-yl)heptanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(1,3-thiazol-2-yl)heptanamide
PubChem CID4266920
Molecular FormulaC10H4F12N2OS
Molecular Weight428.20 g/mol
Exact Mass427.99
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(1,3-thiazol-2-yl)heptanamide
SMILESO=C(Nc1nccs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H4F12N2OS/c11-3(12)6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)4(25)24-5-23-1-2-26-5/h1-3H,(H,23,24,25)
InChIKeyZXKQQDPAMNWYFZ-UHFFFAOYSA-N
XLogP4.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.20
LogP ≤ 54.52
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 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(1,3-thiazol-2-yl)heptanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(1,3-thiazol-2-yl)heptanamide (CID 4266920) is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(1,3-thiazol-2-yl)heptanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(1,3-thiazol-2-yl)heptanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(1,3-thiazol-2-yl)heptanamide is O=C(Nc1nccs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(1,3-thiazol-2-yl)heptanamide?
The InChIKey is ZXKQQDPAMNWYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F12N2OS/c11-3(12)6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)4(25)24-5-23-1-2-26-5/h1-3H,(H,23,24,25).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(1,3-thiazol-2-yl)heptanamide?
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(1,3-thiazol-2-yl)heptanamide has a molecular weight of 428.20 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(1,3-thiazol-2-yl)heptanamide is sourced from PubChem (CID 4266920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).