2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazole

C9H13F2NO2S — CID 107511838

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazole
SMILESCOCc1csc(CCOCC(F)F)n1
InChIInChI=1S/C9H13F2NO2S/c1-13-4-7-6-15-9(12-7)2-3-14-5-8(10)11/h6,8H,2-5H2,1H3
InChIKeySXRZAOKCXXWPMH-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.11
Rot. Bonds7

About 2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazole

2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazole (PubChem CID 107511838) has the molecular formula C9H13F2NO2S and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazole
PubChem CID107511838
Molecular FormulaC9H13F2NO2S
Molecular Weight237.27 g/mol
Exact Mass237.06
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazole
SMILESCOCc1csc(CCOCC(F)F)n1
InChIInChI=1S/C9H13F2NO2S/c1-13-4-7-6-15-9(12-7)2-3-14-5-8(10)11/h6,8H,2-5H2,1H3
InChIKeySXRZAOKCXXWPMH-UHFFFAOYSA-N
XLogP2.11
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-Methylthiazol-4-yl)methyl acetate
CID 45117619
4-[(2S)-Oxiran-2-yl]-2-trifluoromethyl-1,3-thiazole
CID 9837030
CID 11095530
CID 11095530
2-(2-Trifluoromethyl-thiazol-4-yl)ethylene oxide
CID 14372861
Ethyl 2-(2,2,2-trifluoroethyl)thiazole-4-carboxylate
CID 57989344
2-Methyl-4-(2,2,2-trifluoro-1-methoxyethyl)-1,3-thiazole
CID 70886728
Ethyl 2-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxylate
CID 115422477
2-(4,4-Difluorocyclohexyl)-4-(methoxymethyl)-1,3-thiazole
CID 140131868
2-(1-Ethoxyethenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 152483891
Ethane;2-(methoxymethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 156847035
2-(Propan-2-yloxymethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 166728023
Ethyl 2-(2,3,3-trifluoropropyl)-1,3-thiazole-4-carboxylate
CID 175566026

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazole?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazole (CID 107511838) is 2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazole is COCc1csc(CCOCC(F)F)n1.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazole?
The InChIKey is SXRZAOKCXXWPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2S/c1-13-4-7-6-15-9(12-7)2-3-14-5-8(10)11/h6,8H,2-5H2,1H3.
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazole?
2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazole has a molecular weight of 237.27 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazole is sourced from PubChem (CID 107511838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).