2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-ol

C7H8F3NOS — CID 167193773

IUPAC2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-ol
SMILESCC(CO)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H8F3NOS/c1-4(2-12)6-11-5(3-13-6)7(8,9)10/h3-4,12H,2H2,1H3
InChIKeyWVSNMRSYMQKJTO-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.26
Rot. Bonds2

About 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-ol

2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-ol (PubChem CID 167193773) has the molecular formula C7H8F3NOS and a molecular weight of 211.21 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-ol
PubChem CID167193773
Molecular FormulaC7H8F3NOS
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-ol
SMILESCC(CO)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H8F3NOS/c1-4(2-12)6-11-5(3-13-6)7(8,9)10/h3-4,12H,2H2,1H3
InChIKeyWVSNMRSYMQKJTO-UHFFFAOYSA-N
XLogP2.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-ol?
The IUPAC name of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-ol (CID 167193773) is 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-ol.
What is the SMILES notation for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-ol?
The canonical SMILES for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-ol is CC(CO)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-ol?
The InChIKey is WVSNMRSYMQKJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NOS/c1-4(2-12)6-11-5(3-13-6)7(8,9)10/h3-4,12H,2H2,1H3.
What are the key properties of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-ol?
2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-ol has a molecular weight of 211.21 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-ol is sourced from PubChem (CID 167193773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).