[2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-yl]methanol

C7H8F3NOS — CID 79964783

IUPAC[2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(CCC(F)(F)F)n1
InChIInChI=1S/C7H8F3NOS/c8-7(9,10)2-1-6-11-5(3-12)4-13-6/h4,12H,1-3H2
InChIKeyIBVNTCQKUQKDCP-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.13
Rot. Bonds3

About [2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-yl]methanol

[2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-yl]methanol (PubChem CID 79964783) has the molecular formula C7H8F3NOS and a molecular weight of 211.21 g/mol. Its IUPAC name is [2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-yl]methanol
PubChem CID79964783
Molecular FormulaC7H8F3NOS
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name[2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(CCC(F)(F)F)n1
InChIInChI=1S/C7H8F3NOS/c8-7(9,10)2-1-6-11-5(3-12)4-13-6/h4,12H,1-3H2
InChIKeyIBVNTCQKUQKDCP-UHFFFAOYSA-N
XLogP2.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-yl]methanol (CID 79964783) is [2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-yl]methanol is OCc1csc(CCC(F)(F)F)n1.
What is the InChIKey of [2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-yl]methanol?
The InChIKey is IBVNTCQKUQKDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NOS/c8-7(9,10)2-1-6-11-5(3-12)4-13-6/h4,12H,1-3H2.
What are the key properties of [2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-yl]methanol?
[2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-yl]methanol has a molecular weight of 211.21 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3,3-trifluoropropyl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 79964783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).