4-(2,2,2-trifluoroethoxymethylsulfanyl)pyridin-3-amine

C8H9F3N2OS — CID 106705067

IUPAC4-(2,2,2-trifluoroethoxymethylsulfanyl)pyridin-3-amine
SMILESNc1cnccc1SCOCC(F)(F)F
InChIInChI=1S/C8H9F3N2OS/c9-8(10,11)4-14-5-15-7-1-2-13-3-6(7)12/h1-3H,4-5,12H2
InChIKeyKIRHBODKGISFPN-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.29
Rot. Bonds4

About 4-(2,2,2-trifluoroethoxymethylsulfanyl)pyridin-3-amine

4-(2,2,2-trifluoroethoxymethylsulfanyl)pyridin-3-amine (PubChem CID 106705067) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxymethylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxymethylsulfanyl)pyridin-3-amine
PubChem CID106705067
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name4-(2,2,2-trifluoroethoxymethylsulfanyl)pyridin-3-amine
SMILESNc1cnccc1SCOCC(F)(F)F
InChIInChI=1S/C8H9F3N2OS/c9-8(10,11)4-14-5-15-7-1-2-13-3-6(7)12/h1-3H,4-5,12H2
InChIKeyKIRHBODKGISFPN-UHFFFAOYSA-N
XLogP2.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(2-propoxyethylsulfanyl)pyridin-3-amine
CID 106453318
4-ethoxy-2-(2,2,2-trifluoroethoxymethylsulfanyl)aniline
CID 106705107
4-(3-methylbutylsulfanyl)pyridin-3-amine
CID 43300026
4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine
CID 60893029
1-pyridin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214655
3-[2-(methylamino)-3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-amine
CID 103474473
4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine
CID 64771834
4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine
CID 43300179
4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43300012
2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid
CID 65443798
3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 66103074
4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine
CID 60917186

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxymethylsulfanyl)pyridin-3-amine?
The IUPAC name of 4-(2,2,2-trifluoroethoxymethylsulfanyl)pyridin-3-amine (CID 106705067) is 4-(2,2,2-trifluoroethoxymethylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxymethylsulfanyl)pyridin-3-amine?
The canonical SMILES for 4-(2,2,2-trifluoroethoxymethylsulfanyl)pyridin-3-amine is Nc1cnccc1SCOCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethoxymethylsulfanyl)pyridin-3-amine?
The InChIKey is KIRHBODKGISFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c9-8(10,11)4-14-5-15-7-1-2-13-3-6(7)12/h1-3H,4-5,12H2.
What are the key properties of 4-(2,2,2-trifluoroethoxymethylsulfanyl)pyridin-3-amine?
4-(2,2,2-trifluoroethoxymethylsulfanyl)pyridin-3-amine has a molecular weight of 238.23 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxymethylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 106705067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).