2-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]pyridin-3-amine

C9H11F3N2OS — CID 61490319

IUPAC2-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]pyridin-3-amine
SMILESNc1cccnc1SCCOCC(F)(F)F
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)6-15-4-5-16-8-7(13)2-1-3-14-8/h1-3H,4-6,13H2
InChIKeyRHKRWNXOXUUVRZ-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.33
Rot. Bonds5

About 2-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]pyridin-3-amine

2-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]pyridin-3-amine (PubChem CID 61490319) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]pyridin-3-amine
PubChem CID61490319
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name2-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]pyridin-3-amine
SMILESNc1cccnc1SCCOCC(F)(F)F
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)6-15-4-5-16-8-7(13)2-1-3-14-8/h1-3H,4-6,13H2
InChIKeyRHKRWNXOXUUVRZ-UHFFFAOYSA-N
XLogP2.33
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]pyridin-3-amine?
The IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]pyridin-3-amine (CID 61490319) is 2-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]pyridin-3-amine?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]pyridin-3-amine is Nc1cccnc1SCCOCC(F)(F)F.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]pyridin-3-amine?
The InChIKey is RHKRWNXOXUUVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c10-9(11,12)6-15-4-5-16-8-7(13)2-1-3-14-8/h1-3H,4-6,13H2.
What are the key properties of 2-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]pyridin-3-amine?
2-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]pyridin-3-amine has a molecular weight of 252.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 61490319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).