5-[2-(4-propoxyphenyl)ethyl]-2-(trifluoromethyl)pyridine

C17H18F3NO — CID 19765366

IUPAC5-[2-(4-propoxyphenyl)ethyl]-2-(trifluoromethyl)pyridine
SMILESCCCOc1ccc(CCc2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C17H18F3NO/c1-2-11-22-15-8-5-13(6-9-15)3-4-14-7-10-16(21-12-14)17(18,19)20/h5-10,12H,2-4,11H2,1H3
InChIKeyYHDJKUGPUKJVOQ-UHFFFAOYSA-N
MW309.33 g/mol
LogP4.67
Rot. Bonds6

About 5-[2-(4-propoxyphenyl)ethyl]-2-(trifluoromethyl)pyridine

5-[2-(4-propoxyphenyl)ethyl]-2-(trifluoromethyl)pyridine (PubChem CID 19765366) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-[2-(4-propoxyphenyl)ethyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[2-(4-propoxyphenyl)ethyl]-2-(trifluoromethyl)pyridine
PubChem CID19765366
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name5-[2-(4-propoxyphenyl)ethyl]-2-(trifluoromethyl)pyridine
SMILESCCCOc1ccc(CCc2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C17H18F3NO/c1-2-11-22-15-8-5-13(6-9-15)3-4-14-7-10-16(21-12-14)17(18,19)20/h5-10,12H,2-4,11H2,1H3
InChIKeyYHDJKUGPUKJVOQ-UHFFFAOYSA-N
XLogP4.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-propyl-2-(trifluoromethyl)pyridine
CID 23544356
5-[2-(4-butoxyphenyl)ethyl]-2-fluoropyridine;5-[2-(4-ethoxyphenyl)ethyl]-2-fluoropyridine;2-fluoro-5-[2-(4-propoxyphenyl)ethyl]pyridine
CID 67924037
5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine
CID 59391394
5-ethoxy-2-(trifluoromethyl)pyridine
CID 126758289
2-[2-[4-(4-butoxyphenyl)phenyl]ethyl]-5-butylpyridine;5-butyl-2-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine;5-butyl-2-[2-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine
CID 161494276
5-[2-(4-butoxyphenyl)ethyl]-2-hexylpyridine;5-[2-(4-ethoxyphenyl)ethyl]-2-hexylpyridine;2-hexyl-5-[2-(4-methoxyphenyl)ethyl]pyridine;2-hexyl-5-[2-(4-propoxyphenyl)ethyl]pyridine
CID 161275446
5-(3-iodopropyl)-2-(trifluoromethyl)pyridine
CID 54758386
5-(fluoromethyl)-2-(trifluoromethyl)pyridine
CID 177038549
5-[2-(4-heptoxyphenyl)ethyl]-2-hexylpyridine;5-[2-(4-hexoxyphenyl)ethyl]-2-hexylpyridine;2-hexyl-5-[2-(4-octoxyphenyl)ethyl]pyridine
CID 158949131
5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine
CID 54046063
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
2-methyl-4-(4-propoxyphenyl)butan-2-amine
CID 98014307

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-propoxyphenyl)ethyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[2-(4-propoxyphenyl)ethyl]-2-(trifluoromethyl)pyridine (CID 19765366) is 5-[2-(4-propoxyphenyl)ethyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[2-(4-propoxyphenyl)ethyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[2-(4-propoxyphenyl)ethyl]-2-(trifluoromethyl)pyridine is CCCOc1ccc(CCc2ccc(C(F)(F)F)nc2)cc1.
What is the InChIKey of 5-[2-(4-propoxyphenyl)ethyl]-2-(trifluoromethyl)pyridine?
The InChIKey is YHDJKUGPUKJVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO/c1-2-11-22-15-8-5-13(6-9-15)3-4-14-7-10-16(21-12-14)17(18,19)20/h5-10,12H,2-4,11H2,1H3.
What are the key properties of 5-[2-(4-propoxyphenyl)ethyl]-2-(trifluoromethyl)pyridine?
5-[2-(4-propoxyphenyl)ethyl]-2-(trifluoromethyl)pyridine has a molecular weight of 309.33 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-propoxyphenyl)ethyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 19765366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).