2-propan-2-yl-5-propoxy-4-(trifluoromethyl)pyridine

C12H16F3NO — CID 144787128

IUPAC2-propan-2-yl-5-propoxy-4-(trifluoromethyl)pyridine
SMILESCCCOc1cnc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-4-5-17-11-7-16-10(8(2)3)6-9(11)12(13,14)15/h6-8H,4-5H2,1-3H3
InChIKeyPGWRLCCMVHUXLK-UHFFFAOYSA-N
MW247.26 g/mol
LogP4.01
Rot. Bonds4

About 2-propan-2-yl-5-propoxy-4-(trifluoromethyl)pyridine

2-propan-2-yl-5-propoxy-4-(trifluoromethyl)pyridine (PubChem CID 144787128) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-propan-2-yl-5-propoxy-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-propan-2-yl-5-propoxy-4-(trifluoromethyl)pyridine
PubChem CID144787128
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-propan-2-yl-5-propoxy-4-(trifluoromethyl)pyridine
SMILESCCCOc1cnc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-4-5-17-11-7-16-10(8(2)3)6-9(11)12(13,14)15/h6-8H,4-5H2,1-3H3
InChIKeyPGWRLCCMVHUXLK-UHFFFAOYSA-N
XLogP4.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-propoxy-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-propan-2-yl-5-propoxy-4-(trifluoromethyl)pyridine (CID 144787128) is 2-propan-2-yl-5-propoxy-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-propan-2-yl-5-propoxy-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-propan-2-yl-5-propoxy-4-(trifluoromethyl)pyridine is CCCOc1cnc(C(C)C)cc1C(F)(F)F.
What is the InChIKey of 2-propan-2-yl-5-propoxy-4-(trifluoromethyl)pyridine?
The InChIKey is PGWRLCCMVHUXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-4-5-17-11-7-16-10(8(2)3)6-9(11)12(13,14)15/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-propan-2-yl-5-propoxy-4-(trifluoromethyl)pyridine?
2-propan-2-yl-5-propoxy-4-(trifluoromethyl)pyridine has a molecular weight of 247.26 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-propoxy-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 144787128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).