3-(4,4,4-trifluorobutoxy)pyridine

C9H10F3NO — CID 112558625

IUPAC3-(4,4,4-trifluorobutoxy)pyridine
SMILESFC(F)(F)CCCOc1cccnc1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)4-2-6-14-8-3-1-5-13-7-8/h1,3,5,7H,2,4,6H2
InChIKeyUHQZJLUFWAFXKX-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.80
Rot. Bonds4

About 3-(4,4,4-trifluorobutoxy)pyridine

3-(4,4,4-trifluorobutoxy)pyridine (PubChem CID 112558625) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 3-(4,4,4-trifluorobutoxy)pyridine.

Molecular Properties

Compound Name3-(4,4,4-trifluorobutoxy)pyridine
PubChem CID112558625
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name3-(4,4,4-trifluorobutoxy)pyridine
SMILESFC(F)(F)CCCOc1cccnc1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)4-2-6-14-8-3-1-5-13-7-8/h1,3,5,7H,2,4,6H2
InChIKeyUHQZJLUFWAFXKX-UHFFFAOYSA-N
XLogP2.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4,4-trifluorobutoxy)pyridine?
The IUPAC name of 3-(4,4,4-trifluorobutoxy)pyridine (CID 112558625) is 3-(4,4,4-trifluorobutoxy)pyridine.
What is the SMILES notation for 3-(4,4,4-trifluorobutoxy)pyridine?
The canonical SMILES for 3-(4,4,4-trifluorobutoxy)pyridine is FC(F)(F)CCCOc1cccnc1.
What is the InChIKey of 3-(4,4,4-trifluorobutoxy)pyridine?
The InChIKey is UHQZJLUFWAFXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)4-2-6-14-8-3-1-5-13-7-8/h1,3,5,7H,2,4,6H2.
What are the key properties of 3-(4,4,4-trifluorobutoxy)pyridine?
3-(4,4,4-trifluorobutoxy)pyridine has a molecular weight of 205.18 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluorobutoxy)pyridine is sourced from PubChem (CID 112558625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).