6-(1,1-difluoro-2-methylpropyl)-1,3-benzoxazole

C11H11F2NO — CID 116841453

IUPAC6-(1,1-difluoro-2-methylpropyl)-1,3-benzoxazole
SMILESCC(C)C(F)(F)c1ccc2ncoc2c1
InChIInChI=1S/C11H11F2NO/c1-7(2)11(12,13)8-3-4-9-10(5-8)15-6-14-9/h3-7H,1-2H3
InChIKeyIRWICSWSCBNZRU-UHFFFAOYSA-N
MW211.21 g/mol
LogP3.58
Rot. Bonds2

About 6-(1,1-difluoro-2-methylpropyl)-1,3-benzoxazole

6-(1,1-difluoro-2-methylpropyl)-1,3-benzoxazole (PubChem CID 116841453) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 6-(1,1-difluoro-2-methylpropyl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(1,1-difluoro-2-methylpropyl)-1,3-benzoxazole
PubChem CID116841453
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name6-(1,1-difluoro-2-methylpropyl)-1,3-benzoxazole
SMILESCC(C)C(F)(F)c1ccc2ncoc2c1
InChIInChI=1S/C11H11F2NO/c1-7(2)11(12,13)8-3-4-9-10(5-8)15-6-14-9/h3-7H,1-2H3
InChIKeyIRWICSWSCBNZRU-UHFFFAOYSA-N
XLogP3.58
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-benzoxazol-6-yl)-2,2-difluoroethanol
CID 116841174
6-propan-2-yl-1,3-benzoxazole
CID 21354846
1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914373
hydrazine;6-methyl-1,3-benzoxazole
CID 174445357
2-(1,3-benzoxazol-6-yl)propan-1-ol
CID 117277502
2-(1,3-benzoxazol-6-yl)propanenitrile
CID 21437237
1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoroethanone
CID 116836453
1,3-benzoxazol-6-amine
CID 584120
1,3-benzoxazole-6-carboxylic acid;2,2,2-trifluoroacetic acid
CID 138543085
6-(2,2-dimethylpropyl)-1,3-benzoxazole
CID 59139810
6-ethylsulfanyl-1,3-benzoxazole
CID 91527508
1,3-benzoxazol-6-yl(methylamino)methanethiol
CID 116954549

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoro-2-methylpropyl)-1,3-benzoxazole?
The IUPAC name of 6-(1,1-difluoro-2-methylpropyl)-1,3-benzoxazole (CID 116841453) is 6-(1,1-difluoro-2-methylpropyl)-1,3-benzoxazole.
What is the SMILES notation for 6-(1,1-difluoro-2-methylpropyl)-1,3-benzoxazole?
The canonical SMILES for 6-(1,1-difluoro-2-methylpropyl)-1,3-benzoxazole is CC(C)C(F)(F)c1ccc2ncoc2c1.
What is the InChIKey of 6-(1,1-difluoro-2-methylpropyl)-1,3-benzoxazole?
The InChIKey is IRWICSWSCBNZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-7(2)11(12,13)8-3-4-9-10(5-8)15-6-14-9/h3-7H,1-2H3.
What are the key properties of 6-(1,1-difluoro-2-methylpropyl)-1,3-benzoxazole?
6-(1,1-difluoro-2-methylpropyl)-1,3-benzoxazole has a molecular weight of 211.21 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoro-2-methylpropyl)-1,3-benzoxazole is sourced from PubChem (CID 116841453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).