ethyl 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-4-carboxylate

C10H11F4NO3S — CID 103473342

IUPACethyl 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H11F4NO3S/c1-2-18-8(16)6-4-19-7(15-6)3-17-5-10(13,14)9(11)12/h4,9H,2-3,5H2,1H3
InChIKeyQHGJLRMMWWVRHX-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.74
Rot. Bonds7

About ethyl 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-4-carboxylate

ethyl 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-4-carboxylate (PubChem CID 103473342) has the molecular formula C10H11F4NO3S and a molecular weight of 301.26 g/mol. Its IUPAC name is ethyl 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-4-carboxylate
PubChem CID103473342
Molecular FormulaC10H11F4NO3S
Molecular Weight301.26 g/mol
Exact Mass301.04
IUPAC Nameethyl 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H11F4NO3S/c1-2-18-8(16)6-4-19-7(15-6)3-17-5-10(13,14)9(11)12/h4,9H,2-3,5H2,1H3
InChIKeyQHGJLRMMWWVRHX-UHFFFAOYSA-N
XLogP2.74
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-amine
CID 103477015
2-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]acetic acid
CID 103473361
ethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate
CID 137320111
4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
CID 103477033
ethyl 2-(2,2,2-trichloroethoxycarbonyloxymethyl)-1,3-thiazole-4-carboxylate
CID 10594849
ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71697793
1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]pentan-1-amine
CID 103477167
ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate
CID 103476111
ethyl 2-[[3,5-bis[(4-ethoxycarbonyl-1,3-thiazol-2-yl)methyl]-2,4,6-trimethylphenyl]methyl]-1,3-thiazole-4-carboxylate
CID 102278062
ethyl 2-(methylsulfanylmethyl)-1,3-thiazole-4-carboxylate
CID 115422507
ethyl 4-amino-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate
CID 103477235
ethyl 2-(1-amino-2-methylpropyl)-1,3-thiazole-4-carboxylate;2,2,2-trifluoroacetate
CID 171922201

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-4-carboxylate (CID 103473342) is ethyl 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(COCC(F)(F)C(F)F)n1.
What is the InChIKey of ethyl 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is QHGJLRMMWWVRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO3S/c1-2-18-8(16)6-4-19-7(15-6)3-17-5-10(13,14)9(11)12/h4,9H,2-3,5H2,1H3.
What are the key properties of ethyl 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-4-carboxylate?
ethyl 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 301.26 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 103473342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).