2-butyl-7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridine

C16H20F3NO — CID 102408764

IUPAC2-butyl-7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridine
SMILESCCCCc1cc2cc(C(F)(F)F)nc(C(C)(C)C)c2o1
InChIInChI=1S/C16H20F3NO/c1-5-6-7-11-8-10-9-12(16(17,18)19)20-14(13(10)21-11)15(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyVFUXDODWXAQHGY-UHFFFAOYSA-N
MW299.34 g/mol
LogP5.49
Rot. Bonds3

About 2-butyl-7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridine

2-butyl-7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridine (PubChem CID 102408764) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-butyl-7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridine.

Molecular Properties

Compound Name2-butyl-7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridine
PubChem CID102408764
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name2-butyl-7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridine
SMILESCCCCc1cc2cc(C(F)(F)F)nc(C(C)(C)C)c2o1
InChIInChI=1S/C16H20F3NO/c1-5-6-7-11-8-10-9-12(16(17,18)19)20-14(13(10)21-11)15(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyVFUXDODWXAQHGY-UHFFFAOYSA-N
XLogP5.49
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.34
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridine?
The IUPAC name of 2-butyl-7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridine (CID 102408764) is 2-butyl-7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridine.
What is the SMILES notation for 2-butyl-7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridine?
The canonical SMILES for 2-butyl-7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridine is CCCCc1cc2cc(C(F)(F)F)nc(C(C)(C)C)c2o1.
What is the InChIKey of 2-butyl-7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridine?
The InChIKey is VFUXDODWXAQHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-5-6-7-11-8-10-9-12(16(17,18)19)20-14(13(10)21-11)15(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-butyl-7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridine?
2-butyl-7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridine has a molecular weight of 299.34 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridine is sourced from PubChem (CID 102408764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).