2-tert-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole

C16H20FNO2 — CID 163491285

IUPAC2-tert-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole
SMILESCC/C(=C\F)COc1ccc2nc(C(C)(C)C)oc2c1
InChIInChI=1S/C16H20FNO2/c1-5-11(9-17)10-19-12-6-7-13-14(8-12)20-15(18-13)16(2,3)4/h6-9H,5,10H2,1-4H3/b11-9+
InChIKeyACQWQKTXQBGZRS-PKNBQFBNSA-N
MW277.34 g/mol
LogP4.77
Rot. Bonds4

About 2-tert-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole

2-tert-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole (PubChem CID 163491285) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-tert-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole.

Molecular Properties

Compound Name2-tert-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole
PubChem CID163491285
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name2-tert-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole
SMILESCC/C(=C\F)COc1ccc2nc(C(C)(C)C)oc2c1
InChIInChI=1S/C16H20FNO2/c1-5-11(9-17)10-19-12-6-7-13-14(8-12)20-15(18-13)16(2,3)4/h6-9H,5,10H2,1-4H3/b11-9+
InChIKeyACQWQKTXQBGZRS-PKNBQFBNSA-N
XLogP4.77
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole?
The IUPAC name of 2-tert-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole (CID 163491285) is 2-tert-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole.
What is the SMILES notation for 2-tert-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole?
The canonical SMILES for 2-tert-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole is CC/C(=C\F)COc1ccc2nc(C(C)(C)C)oc2c1.
What is the InChIKey of 2-tert-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole?
The InChIKey is ACQWQKTXQBGZRS-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-5-11(9-17)10-19-12-6-7-13-14(8-12)20-15(18-13)16(2,3)4/h6-9H,5,10H2,1-4H3/b11-9+.
What are the key properties of 2-tert-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole?
2-tert-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole has a molecular weight of 277.34 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(2E)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole is sourced from PubChem (CID 163491285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).