6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(4-methyl-1,3-thiazol-2-yl)hexanamide

C10H5ClF10N2OS — CID 4990531

IUPAC6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(4-methyl-1,3-thiazol-2-yl)hexanamide
SMILESCc1csc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)n1
InChIInChI=1S/C10H5ClF10N2OS/c1-3-2-25-5(22-3)23-4(24)6(12,13)7(14,15)8(16,17)9(18,19)10(11,20)21/h2H,1H3,(H,22,23,24)
InChIKeySYYLOQVPDMIKSO-UHFFFAOYSA-N
MW426.66 g/mol
LogP4.76
Rot. Bonds6

About 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(4-methyl-1,3-thiazol-2-yl)hexanamide

6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(4-methyl-1,3-thiazol-2-yl)hexanamide (PubChem CID 4990531) has the molecular formula C10H5ClF10N2OS and a molecular weight of 426.66 g/mol. Its IUPAC name is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(4-methyl-1,3-thiazol-2-yl)hexanamide.

Molecular Properties

Compound Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(4-methyl-1,3-thiazol-2-yl)hexanamide
PubChem CID4990531
Molecular FormulaC10H5ClF10N2OS
Molecular Weight426.66 g/mol
Exact Mass425.97
IUPAC Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(4-methyl-1,3-thiazol-2-yl)hexanamide
SMILESCc1csc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)n1
InChIInChI=1S/C10H5ClF10N2OS/c1-3-2-25-5(22-3)23-4(24)6(12,13)7(14,15)8(16,17)9(18,19)10(11,20)21/h2H,1H3,(H,22,23,24)
InChIKeySYYLOQVPDMIKSO-UHFFFAOYSA-N
XLogP4.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.66
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(4-methyl-1,3-thiazol-2-yl)hexanamide?
The IUPAC name of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(4-methyl-1,3-thiazol-2-yl)hexanamide (CID 4990531) is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(4-methyl-1,3-thiazol-2-yl)hexanamide.
What is the SMILES notation for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(4-methyl-1,3-thiazol-2-yl)hexanamide?
The canonical SMILES for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(4-methyl-1,3-thiazol-2-yl)hexanamide is Cc1csc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)n1.
What is the InChIKey of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(4-methyl-1,3-thiazol-2-yl)hexanamide?
The InChIKey is SYYLOQVPDMIKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF10N2OS/c1-3-2-25-5(22-3)23-4(24)6(12,13)7(14,15)8(16,17)9(18,19)10(11,20)21/h2H,1H3,(H,22,23,24).
What are the key properties of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(4-methyl-1,3-thiazol-2-yl)hexanamide?
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(4-methyl-1,3-thiazol-2-yl)hexanamide has a molecular weight of 426.66 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(4-methyl-1,3-thiazol-2-yl)hexanamide is sourced from PubChem (CID 4990531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).