3-(chloromethyl)-4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine

C11H13ClF3NO — CID 66275486

IUPAC3-(chloromethyl)-4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
SMILESCc1cc(C)c(CCl)c(OC(C)C(F)(F)F)n1
InChIInChI=1S/C11H13ClF3NO/c1-6-4-7(2)16-10(9(6)5-12)17-8(3)11(13,14)15/h4,8H,5H2,1-3H3
InChIKeyVHTAVRPEUHYJRK-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.77
Rot. Bonds3

About 3-(chloromethyl)-4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine

3-(chloromethyl)-4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine (PubChem CID 66275486) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 3-(chloromethyl)-4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
PubChem CID66275486
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name3-(chloromethyl)-4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
SMILESCc1cc(C)c(CCl)c(OC(C)C(F)(F)F)n1
InChIInChI=1S/C11H13ClF3NO/c1-6-4-7(2)16-10(9(6)5-12)17-8(3)11(13,14)15/h4,8H,5H2,1-3H3
InChIKeyVHTAVRPEUHYJRK-UHFFFAOYSA-N
XLogP3.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine?
The IUPAC name of 3-(chloromethyl)-4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine (CID 66275486) is 3-(chloromethyl)-4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine is Cc1cc(C)c(CCl)c(OC(C)C(F)(F)F)n1.
What is the InChIKey of 3-(chloromethyl)-4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine?
The InChIKey is VHTAVRPEUHYJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-6-4-7(2)16-10(9(6)5-12)17-8(3)11(13,14)15/h4,8H,5H2,1-3H3.
What are the key properties of 3-(chloromethyl)-4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine?
3-(chloromethyl)-4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine has a molecular weight of 267.68 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine is sourced from PubChem (CID 66275486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).