2-[1-cyclopropyl-1-(2,2,2-trifluoroethoxy)propyl]pyridine

C13H16F3NO — CID 146397110

IUPAC2-[1-cyclopropyl-1-(2,2,2-trifluoroethoxy)propyl]pyridine
SMILESCCC(OCC(F)(F)F)(c1ccccn1)C1CC1
InChIInChI=1S/C13H16F3NO/c1-2-12(10-6-7-10,18-9-13(14,15)16)11-5-3-4-8-17-11/h3-5,8,10H,2,6-7,9H2,1H3
InChIKeyMWURZFNAYAYOSP-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.68
Rot. Bonds5

About 2-[1-cyclopropyl-1-(2,2,2-trifluoroethoxy)propyl]pyridine

2-[1-cyclopropyl-1-(2,2,2-trifluoroethoxy)propyl]pyridine (PubChem CID 146397110) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-[1-cyclopropyl-1-(2,2,2-trifluoroethoxy)propyl]pyridine.

Molecular Properties

Compound Name2-[1-cyclopropyl-1-(2,2,2-trifluoroethoxy)propyl]pyridine
PubChem CID146397110
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-[1-cyclopropyl-1-(2,2,2-trifluoroethoxy)propyl]pyridine
SMILESCCC(OCC(F)(F)F)(c1ccccn1)C1CC1
InChIInChI=1S/C13H16F3NO/c1-2-12(10-6-7-10,18-9-13(14,15)16)11-5-3-4-8-17-11/h3-5,8,10H,2,6-7,9H2,1H3
InChIKeyMWURZFNAYAYOSP-UHFFFAOYSA-N
XLogP3.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropyl-1-(2,2,2-trifluoroethoxy)propyl]pyridine?
The IUPAC name of 2-[1-cyclopropyl-1-(2,2,2-trifluoroethoxy)propyl]pyridine (CID 146397110) is 2-[1-cyclopropyl-1-(2,2,2-trifluoroethoxy)propyl]pyridine.
What is the SMILES notation for 2-[1-cyclopropyl-1-(2,2,2-trifluoroethoxy)propyl]pyridine?
The canonical SMILES for 2-[1-cyclopropyl-1-(2,2,2-trifluoroethoxy)propyl]pyridine is CCC(OCC(F)(F)F)(c1ccccn1)C1CC1.
What is the InChIKey of 2-[1-cyclopropyl-1-(2,2,2-trifluoroethoxy)propyl]pyridine?
The InChIKey is MWURZFNAYAYOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-2-12(10-6-7-10,18-9-13(14,15)16)11-5-3-4-8-17-11/h3-5,8,10H,2,6-7,9H2,1H3.
What are the key properties of 2-[1-cyclopropyl-1-(2,2,2-trifluoroethoxy)propyl]pyridine?
2-[1-cyclopropyl-1-(2,2,2-trifluoroethoxy)propyl]pyridine has a molecular weight of 259.27 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropyl-1-(2,2,2-trifluoroethoxy)propyl]pyridine is sourced from PubChem (CID 146397110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).