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

C10H13F3N2OS — CID 54962031

IUPAC2-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine
SMILESNc1cccnc1SCCCOCC(F)(F)F
InChIInChI=1S/C10H13F3N2OS/c11-10(12,13)7-16-5-2-6-17-9-8(14)3-1-4-15-9/h1,3-4H,2,5-7,14H2
InChIKeyBGJJLICVVONOAC-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.72
Rot. Bonds6

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

2-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine (PubChem CID 54962031) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine
PubChem CID54962031
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name2-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine
SMILESNc1cccnc1SCCCOCC(F)(F)F
InChIInChI=1S/C10H13F3N2OS/c11-10(12,13)7-16-5-2-6-17-9-8(14)3-1-4-15-9/h1,3-4H,2,5-7,14H2
InChIKeyBGJJLICVVONOAC-UHFFFAOYSA-N
XLogP2.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.72
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-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine?
The IUPAC name of 2-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine (CID 54962031) is 2-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 2-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine?
The canonical SMILES for 2-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine is Nc1cccnc1SCCCOCC(F)(F)F.
What is the InChIKey of 2-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine?
The InChIKey is BGJJLICVVONOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c11-10(12,13)7-16-5-2-6-17-9-8(14)3-1-4-15-9/h1,3-4H,2,5-7,14H2.
What are the key properties of 2-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine?
2-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine has a molecular weight of 266.29 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 54962031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).