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

C7H8F3NOS — CID 83384873

IUPAC1,1,1-trifluoro-2-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCc1csc(C(C)(O)C(F)(F)F)n1
InChIInChI=1S/C7H8F3NOS/c1-4-3-13-5(11-4)6(2,12)7(8,9)10/h3,12H,1-2H3
InChIKeyFBVCRNCDCYNNSK-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.22
Rot. Bonds1

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

1,1,1-trifluoro-2-(4-methyl-1,3-thiazol-2-yl)propan-2-ol (PubChem CID 83384873) has the molecular formula C7H8F3NOS and a molecular weight of 211.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(4-methyl-1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
PubChem CID83384873
Molecular FormulaC7H8F3NOS
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name1,1,1-trifluoro-2-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCc1csc(C(C)(O)C(F)(F)F)n1
InChIInChI=1S/C7H8F3NOS/c1-4-3-13-5(11-4)6(2,12)7(8,9)10/h3,12H,1-2H3
InChIKeyFBVCRNCDCYNNSK-UHFFFAOYSA-N
XLogP2.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(4-methyl-1,3-thiazol-2-yl)propan-2-ol (CID 83384873) is 1,1,1-trifluoro-2-(4-methyl-1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(4-methyl-1,3-thiazol-2-yl)propan-2-ol is Cc1csc(C(C)(O)C(F)(F)F)n1.
What is the InChIKey of 1,1,1-trifluoro-2-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is FBVCRNCDCYNNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NOS/c1-4-3-13-5(11-4)6(2,12)7(8,9)10/h3,12H,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(4-methyl-1,3-thiazol-2-yl)propan-2-ol?
1,1,1-trifluoro-2-(4-methyl-1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 211.21 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(4-methyl-1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 83384873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).