2-chloro-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazole

C7H5ClF5NOS — CID 79764113

IUPAC2-chloro-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazole
SMILESFC(F)(F)C(F)(F)COCc1cnc(Cl)s1
InChIInChI=1S/C7H5ClF5NOS/c8-5-14-1-4(16-5)2-15-3-6(9,10)7(11,12)13/h1H,2-3H2
InChIKeyCGYQUCRFCYEBAE-UHFFFAOYSA-N
MW281.63 g/mol
LogP3.51
Rot. Bonds4

About 2-chloro-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazole

2-chloro-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazole (PubChem CID 79764113) has the molecular formula C7H5ClF5NOS and a molecular weight of 281.63 g/mol. Its IUPAC name is 2-chloro-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazole
PubChem CID79764113
Molecular FormulaC7H5ClF5NOS
Molecular Weight281.63 g/mol
Exact Mass280.97
IUPAC Name2-chloro-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazole
SMILESFC(F)(F)C(F)(F)COCc1cnc(Cl)s1
InChIInChI=1S/C7H5ClF5NOS/c8-5-14-1-4(16-5)2-15-3-6(9,10)7(11,12)13/h1H,2-3H2
InChIKeyCGYQUCRFCYEBAE-UHFFFAOYSA-N
XLogP3.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.63
LogP ≤ 53.51
H-Bond Donors ≤ 50
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-chloro-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazole (CID 79764113) is 2-chloro-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazole is FC(F)(F)C(F)(F)COCc1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazole?
The InChIKey is CGYQUCRFCYEBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF5NOS/c8-5-14-1-4(16-5)2-15-3-6(9,10)7(11,12)13/h1H,2-3H2.
What are the key properties of 2-chloro-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazole?
2-chloro-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazole has a molecular weight of 281.63 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3-thiazole is sourced from PubChem (CID 79764113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).