2-chloro-4-(1,1,1-trifluoropropan-2-yloxy)pyridine

C8H7ClF3NO — CID 66274799

IUPAC2-chloro-4-(1,1,1-trifluoropropan-2-yloxy)pyridine
SMILESCC(Oc1ccnc(Cl)c1)C(F)(F)F
InChIInChI=1S/C8H7ClF3NO/c1-5(8(10,11)12)14-6-2-3-13-7(9)4-6/h2-5H,1H3
InChIKeyFRAUAEVODSWVFE-UHFFFAOYSA-N
MW225.60 g/mol
LogP3.06
Rot. Bonds2

About 2-chloro-4-(1,1,1-trifluoropropan-2-yloxy)pyridine

2-chloro-4-(1,1,1-trifluoropropan-2-yloxy)pyridine (PubChem CID 66274799) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 2-chloro-4-(1,1,1-trifluoropropan-2-yloxy)pyridine.

Molecular Properties

Compound Name2-chloro-4-(1,1,1-trifluoropropan-2-yloxy)pyridine
PubChem CID66274799
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name2-chloro-4-(1,1,1-trifluoropropan-2-yloxy)pyridine
SMILESCC(Oc1ccnc(Cl)c1)C(F)(F)F
InChIInChI=1S/C8H7ClF3NO/c1-5(8(10,11)12)14-6-2-3-13-7(9)4-6/h2-5H,1H3
InChIKeyFRAUAEVODSWVFE-UHFFFAOYSA-N
XLogP3.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,1,1-trifluoropropan-2-yloxy)pyridine?
The IUPAC name of 2-chloro-4-(1,1,1-trifluoropropan-2-yloxy)pyridine (CID 66274799) is 2-chloro-4-(1,1,1-trifluoropropan-2-yloxy)pyridine.
What is the SMILES notation for 2-chloro-4-(1,1,1-trifluoropropan-2-yloxy)pyridine?
The canonical SMILES for 2-chloro-4-(1,1,1-trifluoropropan-2-yloxy)pyridine is CC(Oc1ccnc(Cl)c1)C(F)(F)F.
What is the InChIKey of 2-chloro-4-(1,1,1-trifluoropropan-2-yloxy)pyridine?
The InChIKey is FRAUAEVODSWVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c1-5(8(10,11)12)14-6-2-3-13-7(9)4-6/h2-5H,1H3.
What are the key properties of 2-chloro-4-(1,1,1-trifluoropropan-2-yloxy)pyridine?
2-chloro-4-(1,1,1-trifluoropropan-2-yloxy)pyridine has a molecular weight of 225.60 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,1,1-trifluoropropan-2-yloxy)pyridine is sourced from PubChem (CID 66274799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).