5-(1-fluoroethoxy)-2-methyl-3-propan-2-ylpyridine

C11H16FNO — CID 163705100

IUPAC5-(1-fluoroethoxy)-2-methyl-3-propan-2-ylpyridine
SMILESCc1ncc(OC(C)F)cc1C(C)C
InChIInChI=1S/C11H16FNO/c1-7(2)11-5-10(14-9(4)12)6-13-8(11)3/h5-7,9H,1-4H3
InChIKeyPFQZXXHEYCZGPJ-UHFFFAOYSA-N
MW197.25 g/mol
LogP3.21
Rot. Bonds3

About 5-(1-fluoroethoxy)-2-methyl-3-propan-2-ylpyridine

5-(1-fluoroethoxy)-2-methyl-3-propan-2-ylpyridine (PubChem CID 163705100) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 5-(1-fluoroethoxy)-2-methyl-3-propan-2-ylpyridine.

Molecular Properties

Compound Name5-(1-fluoroethoxy)-2-methyl-3-propan-2-ylpyridine
PubChem CID163705100
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name5-(1-fluoroethoxy)-2-methyl-3-propan-2-ylpyridine
SMILESCc1ncc(OC(C)F)cc1C(C)C
InChIInChI=1S/C11H16FNO/c1-7(2)11-5-10(14-9(4)12)6-13-8(11)3/h5-7,9H,1-4H3
InChIKeyPFQZXXHEYCZGPJ-UHFFFAOYSA-N
XLogP3.21
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroethoxy)-2-methyl-3-propan-2-ylpyridine?
The IUPAC name of 5-(1-fluoroethoxy)-2-methyl-3-propan-2-ylpyridine (CID 163705100) is 5-(1-fluoroethoxy)-2-methyl-3-propan-2-ylpyridine.
What is the SMILES notation for 5-(1-fluoroethoxy)-2-methyl-3-propan-2-ylpyridine?
The canonical SMILES for 5-(1-fluoroethoxy)-2-methyl-3-propan-2-ylpyridine is Cc1ncc(OC(C)F)cc1C(C)C.
What is the InChIKey of 5-(1-fluoroethoxy)-2-methyl-3-propan-2-ylpyridine?
The InChIKey is PFQZXXHEYCZGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-7(2)11-5-10(14-9(4)12)6-13-8(11)3/h5-7,9H,1-4H3.
What are the key properties of 5-(1-fluoroethoxy)-2-methyl-3-propan-2-ylpyridine?
5-(1-fluoroethoxy)-2-methyl-3-propan-2-ylpyridine has a molecular weight of 197.25 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethoxy)-2-methyl-3-propan-2-ylpyridine is sourced from PubChem (CID 163705100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).