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

C16H20FNO2 — CID 163444143

IUPAC2-butyl-6-[(2Z)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole
SMILESCCCCc1nc2ccc(OC/C(=C\F)CC)cc2o1
InChIInChI=1S/C16H20FNO2/c1-3-5-6-16-18-14-8-7-13(9-15(14)20-16)19-11-12(4-2)10-17/h7-10H,3-6,11H2,1-2H3/b12-10-
InChIKeyQBOIOFNOUOUMRN-BENRWUELSA-N
MW277.34 g/mol
LogP4.81
Rot. Bonds7

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

2-butyl-6-[(2Z)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole (PubChem CID 163444143) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-butyl-6-[(2Z)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole.

Molecular Properties

Compound Name2-butyl-6-[(2Z)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole
PubChem CID163444143
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name2-butyl-6-[(2Z)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole
SMILESCCCCc1nc2ccc(OC/C(=C\F)CC)cc2o1
InChIInChI=1S/C16H20FNO2/c1-3-5-6-16-18-14-8-7-13(9-15(14)20-16)19-11-12(4-2)10-17/h7-10H,3-6,11H2,1-2H3/b12-10-
InChIKeyQBOIOFNOUOUMRN-BENRWUELSA-N
XLogP4.81
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-[(2Z)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole?
The IUPAC name of 2-butyl-6-[(2Z)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole (CID 163444143) is 2-butyl-6-[(2Z)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole.
What is the SMILES notation for 2-butyl-6-[(2Z)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole?
The canonical SMILES for 2-butyl-6-[(2Z)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole is CCCCc1nc2ccc(OC/C(=C\F)CC)cc2o1.
What is the InChIKey of 2-butyl-6-[(2Z)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole?
The InChIKey is QBOIOFNOUOUMRN-BENRWUELSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-3-5-6-16-18-14-8-7-13(9-15(14)20-16)19-11-12(4-2)10-17/h7-10H,3-6,11H2,1-2H3/b12-10-.
What are the key properties of 2-butyl-6-[(2Z)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole?
2-butyl-6-[(2Z)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole has a molecular weight of 277.34 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-[(2Z)-2-(fluoromethylidene)butoxy]-1,3-benzoxazole is sourced from PubChem (CID 163444143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).