6-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbothioamide

C10H8F6N2OS — CID 79877729

IUPAC6-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbothioamide
SMILESCC(Oc1nc(C(F)(F)F)ccc1C(N)=S)C(F)(F)F
InChIInChI=1S/C10H8F6N2OS/c1-4(9(11,12)13)19-8-5(7(17)20)2-3-6(18-8)10(14,15)16/h2-4H,1H3,(H2,17,20)
InChIKeyQFTJCTWVCQEQHP-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.06
Rot. Bonds3

About 6-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbothioamide

6-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbothioamide (PubChem CID 79877729) has the molecular formula C10H8F6N2OS and a molecular weight of 318.24 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbothioamide
PubChem CID79877729
Molecular FormulaC10H8F6N2OS
Molecular Weight318.24 g/mol
Exact Mass318.03
IUPAC Name6-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbothioamide
SMILESCC(Oc1nc(C(F)(F)F)ccc1C(N)=S)C(F)(F)F
InChIInChI=1S/C10H8F6N2OS/c1-4(9(11,12)13)19-8-5(7(17)20)2-3-6(18-8)10(14,15)16/h2-4H,1H3,(H2,17,20)
InChIKeyQFTJCTWVCQEQHP-UHFFFAOYSA-N
XLogP3.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-propan-2-yloxyethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877115
2-(2-hydroxyethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877386
2-(1,1,1-trifluoropropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 66277185
2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877639
N'-hydroxy-6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboximidamide
CID 77102488
2-(2-methylpentan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877314
2-[methyl(3-methylbutan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877515
2-(4-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79876517
2-(2,3-dimethylbutylamino)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877180
2-(4-methylpentan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79876699
2-(cyclopentylmethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79876710
2-(1-methoxybutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877113

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbothioamide?
The IUPAC name of 6-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbothioamide (CID 79877729) is 6-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbothioamide?
The canonical SMILES for 6-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbothioamide is CC(Oc1nc(C(F)(F)F)ccc1C(N)=S)C(F)(F)F.
What is the InChIKey of 6-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbothioamide?
The InChIKey is QFTJCTWVCQEQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N2OS/c1-4(9(11,12)13)19-8-5(7(17)20)2-3-6(18-8)10(14,15)16/h2-4H,1H3,(H2,17,20).
What are the key properties of 6-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbothioamide?
6-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbothioamide has a molecular weight of 318.24 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbothioamide is sourced from PubChem (CID 79877729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).