2,5-ditert-butyl-3-fluoro-4-propan-2-yloxypyridine

C16H26FNO — CID 134411099

IUPAC2,5-ditert-butyl-3-fluoro-4-propan-2-yloxypyridine
SMILESCC(C)Oc1c(C(C)(C)C)cnc(C(C)(C)C)c1F
InChIInChI=1S/C16H26FNO/c1-10(2)19-13-11(15(3,4)5)9-18-14(12(13)17)16(6,7)8/h9-10H,1-8H3
InChIKeyJNYHGTINRXRZSW-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.60
Rot. Bonds2

About 2,5-ditert-butyl-3-fluoro-4-propan-2-yloxypyridine

2,5-ditert-butyl-3-fluoro-4-propan-2-yloxypyridine (PubChem CID 134411099) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 2,5-ditert-butyl-3-fluoro-4-propan-2-yloxypyridine.

Molecular Properties

Compound Name2,5-ditert-butyl-3-fluoro-4-propan-2-yloxypyridine
PubChem CID134411099
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name2,5-ditert-butyl-3-fluoro-4-propan-2-yloxypyridine
SMILESCC(C)Oc1c(C(C)(C)C)cnc(C(C)(C)C)c1F
InChIInChI=1S/C16H26FNO/c1-10(2)19-13-11(15(3,4)5)9-18-14(12(13)17)16(6,7)8/h9-10H,1-8H3
InChIKeyJNYHGTINRXRZSW-UHFFFAOYSA-N
XLogP4.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-3-fluoro-4-propan-2-yloxypyridine?
The IUPAC name of 2,5-ditert-butyl-3-fluoro-4-propan-2-yloxypyridine (CID 134411099) is 2,5-ditert-butyl-3-fluoro-4-propan-2-yloxypyridine.
What is the SMILES notation for 2,5-ditert-butyl-3-fluoro-4-propan-2-yloxypyridine?
The canonical SMILES for 2,5-ditert-butyl-3-fluoro-4-propan-2-yloxypyridine is CC(C)Oc1c(C(C)(C)C)cnc(C(C)(C)C)c1F.
What is the InChIKey of 2,5-ditert-butyl-3-fluoro-4-propan-2-yloxypyridine?
The InChIKey is JNYHGTINRXRZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-10(2)19-13-11(15(3,4)5)9-18-14(12(13)17)16(6,7)8/h9-10H,1-8H3.
What are the key properties of 2,5-ditert-butyl-3-fluoro-4-propan-2-yloxypyridine?
2,5-ditert-butyl-3-fluoro-4-propan-2-yloxypyridine has a molecular weight of 267.39 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-3-fluoro-4-propan-2-yloxypyridine is sourced from PubChem (CID 134411099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).