4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole

C6H2ClF6NOS — CID 102722084

IUPAC4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole
SMILESFC(F)(F)C(Oc1nc(Cl)cs1)C(F)(F)F
InChIInChI=1S/C6H2ClF6NOS/c7-2-1-16-4(14-2)15-3(5(8,9)10)6(11,12)13/h1,3H
InChIKeySHIAXMFDOFCGFI-UHFFFAOYSA-N
MW285.60 g/mol
LogP3.67
Rot. Bonds2

About 4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole

4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole (PubChem CID 102722084) has the molecular formula C6H2ClF6NOS and a molecular weight of 285.60 g/mol. Its IUPAC name is 4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole
PubChem CID102722084
Molecular FormulaC6H2ClF6NOS
Molecular Weight285.60 g/mol
Exact Mass284.94
IUPAC Name4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole
SMILESFC(F)(F)C(Oc1nc(Cl)cs1)C(F)(F)F
InChIInChI=1S/C6H2ClF6NOS/c7-2-1-16-4(14-2)15-3(5(8,9)10)6(11,12)13/h1,3H
InChIKeySHIAXMFDOFCGFI-UHFFFAOYSA-N
XLogP3.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.60
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-2-ethoxy-1,3-thiazole
CID 83157294
4-Chloro-2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazole
CID 83152026
4-Chloro-2-(2,2-difluoroethoxy)-1,3-thiazole
CID 83152988
4-Chloro-2-(4,4,4-trifluorobutoxy)-1,3-thiazole
CID 83153108
4-Chloro-2-(1,1,1-trifluoropropan-2-yloxy)-1,3-thiazole
CID 83153347
4-Chloro-2-(3,3,3-trifluoropropoxy)-1,3-thiazole
CID 83153349
4-Chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
CID 83153453
4-Chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole
CID 83153589
4-Bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole
CID 102722065
4-Chloro-2-prop-2-ynoxy-1,3-thiazole
CID 83152143
4-Chloro-2-(1-methoxypropan-2-yloxy)-1,3-thiazole
CID 83152269
4-Chloro-2-propan-2-yloxy-1,3-thiazole
CID 83152374

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole (CID 102722084) is 4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole is FC(F)(F)C(Oc1nc(Cl)cs1)C(F)(F)F.
What is the InChIKey of 4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole?
The InChIKey is SHIAXMFDOFCGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF6NOS/c7-2-1-16-4(14-2)15-3(5(8,9)10)6(11,12)13/h1,3H.
What are the key properties of 4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole?
4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole has a molecular weight of 285.60 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazole is sourced from PubChem (CID 102722084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).