3-propan-2-yl-4-(trifluoromethoxy)pyridine

C9H10F3NO — CID 138513813

IUPAC3-propan-2-yl-4-(trifluoromethoxy)pyridine
SMILESCC(C)c1cnccc1OC(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-6(2)7-5-13-4-3-8(7)14-9(10,11)12/h3-6H,1-2H3
InChIKeyFVYIDZZXALNNGF-UHFFFAOYSA-N
MW205.18 g/mol
LogP3.10
Rot. Bonds2

About 3-propan-2-yl-4-(trifluoromethoxy)pyridine

3-propan-2-yl-4-(trifluoromethoxy)pyridine (PubChem CID 138513813) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 3-propan-2-yl-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-propan-2-yl-4-(trifluoromethoxy)pyridine
PubChem CID138513813
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name3-propan-2-yl-4-(trifluoromethoxy)pyridine
SMILESCC(C)c1cnccc1OC(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-6(2)7-5-13-4-3-8(7)14-9(10,11)12/h3-6H,1-2H3
InChIKeyFVYIDZZXALNNGF-UHFFFAOYSA-N
XLogP3.10
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4-(trifluoromethoxy)pyridine?
The IUPAC name of 3-propan-2-yl-4-(trifluoromethoxy)pyridine (CID 138513813) is 3-propan-2-yl-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-propan-2-yl-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-propan-2-yl-4-(trifluoromethoxy)pyridine is CC(C)c1cnccc1OC(F)(F)F.
What is the InChIKey of 3-propan-2-yl-4-(trifluoromethoxy)pyridine?
The InChIKey is FVYIDZZXALNNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-6(2)7-5-13-4-3-8(7)14-9(10,11)12/h3-6H,1-2H3.
What are the key properties of 3-propan-2-yl-4-(trifluoromethoxy)pyridine?
3-propan-2-yl-4-(trifluoromethoxy)pyridine has a molecular weight of 205.18 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 138513813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).