6-(cyclopropylidenemethyl)-1-methyl-3-(3,3,3-trifluoropropoxy)-2H-pyridine

C13H16F3NO — CID 138703019

IUPAC6-(cyclopropylidenemethyl)-1-methyl-3-(3,3,3-trifluoropropoxy)-2H-pyridine
SMILESCN1CC(OCCC(F)(F)F)=CC=C1C=C1CC1
InChIInChI=1S/C13H16F3NO/c1-17-9-12(18-7-6-13(14,15)16)5-4-11(17)8-10-2-3-10/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyPKUMARYOPPNJEF-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.39
Rot. Bonds4

About 6-(cyclopropylidenemethyl)-1-methyl-3-(3,3,3-trifluoropropoxy)-2H-pyridine

6-(cyclopropylidenemethyl)-1-methyl-3-(3,3,3-trifluoropropoxy)-2H-pyridine (PubChem CID 138703019) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 6-(cyclopropylidenemethyl)-1-methyl-3-(3,3,3-trifluoropropoxy)-2H-pyridine.

Molecular Properties

Compound Name6-(cyclopropylidenemethyl)-1-methyl-3-(3,3,3-trifluoropropoxy)-2H-pyridine
PubChem CID138703019
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name6-(cyclopropylidenemethyl)-1-methyl-3-(3,3,3-trifluoropropoxy)-2H-pyridine
SMILESCN1CC(OCCC(F)(F)F)=CC=C1C=C1CC1
InChIInChI=1S/C13H16F3NO/c1-17-9-12(18-7-6-13(14,15)16)5-4-11(17)8-10-2-3-10/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyPKUMARYOPPNJEF-UHFFFAOYSA-N
XLogP3.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylidenemethyl)-1-methyl-3-(3,3,3-trifluoropropoxy)-2H-pyridine?
The IUPAC name of 6-(cyclopropylidenemethyl)-1-methyl-3-(3,3,3-trifluoropropoxy)-2H-pyridine (CID 138703019) is 6-(cyclopropylidenemethyl)-1-methyl-3-(3,3,3-trifluoropropoxy)-2H-pyridine.
What is the SMILES notation for 6-(cyclopropylidenemethyl)-1-methyl-3-(3,3,3-trifluoropropoxy)-2H-pyridine?
The canonical SMILES for 6-(cyclopropylidenemethyl)-1-methyl-3-(3,3,3-trifluoropropoxy)-2H-pyridine is CN1CC(OCCC(F)(F)F)=CC=C1C=C1CC1.
What is the InChIKey of 6-(cyclopropylidenemethyl)-1-methyl-3-(3,3,3-trifluoropropoxy)-2H-pyridine?
The InChIKey is PKUMARYOPPNJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-17-9-12(18-7-6-13(14,15)16)5-4-11(17)8-10-2-3-10/h4-5,8H,2-3,6-7,9H2,1H3.
What are the key properties of 6-(cyclopropylidenemethyl)-1-methyl-3-(3,3,3-trifluoropropoxy)-2H-pyridine?
6-(cyclopropylidenemethyl)-1-methyl-3-(3,3,3-trifluoropropoxy)-2H-pyridine has a molecular weight of 259.27 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylidenemethyl)-1-methyl-3-(3,3,3-trifluoropropoxy)-2H-pyridine is sourced from PubChem (CID 138703019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).