2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-1,3-thiazole

C8H7F6NO2S — CID 86213976

IUPAC2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-1,3-thiazole
SMILESCOCOC(c1nccs1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F6NO2S/c1-16-4-17-6(7(9,10)11,8(12,13)14)5-15-2-3-18-5/h2-3H,4H2,1H3
InChIKeyIEGBUIKXSQLRIH-UHFFFAOYSA-N
MW295.20 g/mol
LogP3.08
Rot. Bonds4

About 2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-1,3-thiazole

2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-1,3-thiazole (PubChem CID 86213976) has the molecular formula C8H7F6NO2S and a molecular weight of 295.20 g/mol. Its IUPAC name is 2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-1,3-thiazole
PubChem CID86213976
Molecular FormulaC8H7F6NO2S
Molecular Weight295.20 g/mol
Exact Mass295.01
IUPAC Name2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-1,3-thiazole
SMILESCOCOC(c1nccs1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F6NO2S/c1-16-4-17-6(7(9,10)11,8(12,13)14)5-15-2-3-18-5/h2-3H,4H2,1H3
InChIKeyIEGBUIKXSQLRIH-UHFFFAOYSA-N
XLogP3.08
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1,1,3,3,3-Hexafluoro-2-(1,3-thiazol-2-yl)propan-2-ol
CID 12992808
2-(1,1-Dimethoxyethyl)thiazole
CID 11073980
2-[[1,1,1,3,3,3-Hexafluoro-2-(1,3-thiazol-2-yl)propan-2-yl]oxymethoxy]ethyl-trimethylsilane
CID 11047169
Trimethyl-[2-[[1,1,1-trifluoro-2-(1,3-thiazol-2-yl)propan-2-yl]oxymethoxy]ethyl]silane
CID 12992803
2-Thiazolemethanol, alpha-methyl-alpha-(trifluoromethyl)-
CID 12992809
1,1-Di(2-thiazolyl)-2,2,2-trifluoroethyl Methyl Ether
CID 22106697
CID 58450350
CID 58450350
2-(2,2,2-Trifluoro-1-methoxyethyl)-1,3-thiazole
CID 68216031
[2,2,2-Trifluoro-1-(1,3-thiazol-2-yl)ethyl] formate
CID 141345378
2-(1,3-Thiazol-2-yl)but-3-yn-2-yl 2,2,2-trifluoroacetate
CID 172552226
1,1-Difluoro-2-(1,3-thiazol-2-yl)propan-2-ol
CID 80605598
2-(1-Methyl-1-{[2-(trimethylsilyl)ethoxy]methoxy}ethyl)thiazole
CID 10869473

Frequently Asked Questions

What is the IUPAC name of 2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-1,3-thiazole (CID 86213976) is 2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-1,3-thiazole is COCOC(c1nccs1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-1,3-thiazole?
The InChIKey is IEGBUIKXSQLRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6NO2S/c1-16-4-17-6(7(9,10)11,8(12,13)14)5-15-2-3-18-5/h2-3H,4H2,1H3.
What are the key properties of 2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-1,3-thiazole?
2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-1,3-thiazole has a molecular weight of 295.20 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-1,3-thiazole is sourced from PubChem (CID 86213976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).