2,2-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol

C11H14F3NOS — CID 71109839

IUPAC2,2-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
SMILESCC(C)(CO)CSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H14F3NOS/c1-10(2,6-16)7-17-9-4-3-8(5-15-9)11(12,13)14/h3-5,16H,6-7H2,1-2H3
InChIKeySTWBMXSYAGKKRG-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.21
Rot. Bonds4

About 2,2-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol

2,2-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol (PubChem CID 71109839) has the molecular formula C11H14F3NOS and a molecular weight of 265.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
PubChem CID71109839
Molecular FormulaC11H14F3NOS
Molecular Weight265.30 g/mol
Exact Mass265.07
IUPAC Name2,2-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
SMILESCC(C)(CO)CSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H14F3NOS/c1-10(2,6-16)7-17-9-4-3-8(5-15-9)11(12,13)14/h3-5,16H,6-7H2,1-2H3
InChIKeySTWBMXSYAGKKRG-UHFFFAOYSA-N
XLogP3.21
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol (CID 71109839) is 2,2-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol is CC(C)(CO)CSc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2,2-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol?
The InChIKey is STWBMXSYAGKKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NOS/c1-10(2,6-16)7-17-9-4-3-8(5-15-9)11(12,13)14/h3-5,16H,6-7H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol?
2,2-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol has a molecular weight of 265.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol is sourced from PubChem (CID 71109839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).