2-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol

C10H12F3NOS — CID 66102622

IUPAC2-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
SMILESCC(CO)CSc1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3NOS/c1-7(5-15)6-16-9-4-2-3-8(14-9)10(11,12)13/h2-4,7,15H,5-6H2,1H3
InChIKeyAGZAMDQBNSUPJZ-UHFFFAOYSA-N
MW251.27 g/mol
LogP2.82
Rot. Bonds4

About 2-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol

2-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol (PubChem CID 66102622) has the molecular formula C10H12F3NOS and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
PubChem CID66102622
Molecular FormulaC10H12F3NOS
Molecular Weight251.27 g/mol
Exact Mass251.06
IUPAC Name2-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
SMILESCC(CO)CSc1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3NOS/c1-7(5-15)6-16-9-4-2-3-8(14-9)10(11,12)13/h2-4,7,15H,5-6H2,1H3
InChIKeyAGZAMDQBNSUPJZ-UHFFFAOYSA-N
XLogP2.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol?
The IUPAC name of 2-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol (CID 66102622) is 2-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol is CC(CO)CSc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol?
The InChIKey is AGZAMDQBNSUPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NOS/c1-7(5-15)6-16-9-4-2-3-8(14-9)10(11,12)13/h2-4,7,15H,5-6H2,1H3.
What are the key properties of 2-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol?
2-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol has a molecular weight of 251.27 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol is sourced from PubChem (CID 66102622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).