1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol

C10H13F4NO2S — CID 103474059

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESCc1nc(CC(O)COCC(F)(F)C(F)F)cs1
InChIInChI=1S/C10H13F4NO2S/c1-6-15-7(4-18-6)2-8(16)3-17-5-10(13,14)9(11)12/h4,8-9,16H,2-3,5H2,1H3
InChIKeyULUMDFZMHOJOOU-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.27
Rot. Bonds7

About 1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol

1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (PubChem CID 103474059) has the molecular formula C10H13F4NO2S and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
PubChem CID103474059
Molecular FormulaC10H13F4NO2S
Molecular Weight287.28 g/mol
Exact Mass287.06
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESCc1nc(CC(O)COCC(F)(F)C(F)F)cs1
InChIInChI=1S/C10H13F4NO2S/c1-6-15-7(4-18-6)2-8(16)3-17-5-10(13,14)9(11)12/h4,8-9,16H,2-3,5H2,1H3
InChIKeyULUMDFZMHOJOOU-UHFFFAOYSA-N
XLogP2.27
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol
CID 64565731
1-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474078
1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474191
5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol
CID 106677820
1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474045
1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol
CID 62798798
1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62799671
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol
CID 62798257
1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474152
N-methyl-1-[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 55077413
[1,1,1-trifluoro-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105215784
1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol
CID 62798439

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (CID 103474059) is 1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol is Cc1nc(CC(O)COCC(F)(F)C(F)F)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The InChIKey is ULUMDFZMHOJOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4NO2S/c1-6-15-7(4-18-6)2-8(16)3-17-5-10(13,14)9(11)12/h4,8-9,16H,2-3,5H2,1H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol has a molecular weight of 287.28 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol is sourced from PubChem (CID 103474059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).