5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole

C11H11F2NO — CID 84678196

IUPAC5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1nc2cc(C(F)F)ccc2o1
InChIInChI=1S/C11H11F2NO/c1-6(2)11-14-8-5-7(10(12)13)3-4-9(8)15-11/h3-6,10H,1-2H3
InChIKeyRJNRPZFILJIEIW-UHFFFAOYSA-N
MW211.21 g/mol
LogP3.89
Rot. Bonds2

About 5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole

5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole (PubChem CID 84678196) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole
PubChem CID84678196
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1nc2cc(C(F)F)ccc2o1
InChIInChI=1S/C11H11F2NO/c1-6(2)11-14-8-5-7(10(12)13)3-4-9(8)15-11/h3-6,10H,1-2H3
InChIKeyRJNRPZFILJIEIW-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-1,3-benzoxazole-5-thiol
CID 138604621
1-[5-(difluoromethyl)-1,3-benzoxazol-2-yl]ethanone
CID 84678155
ethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate
CID 117412349
5-(bromomethyl)-2-propan-2-yl-1,3-benzoxazole
CID 15662276
1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-2-amine
CID 83888273
2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one
CID 82289176
2-(difluoromethyl)-1,3-benzoxazol-5-ol
CID 118843102
N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745087
1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 64793422
N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 103439136
N-heptyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745098
N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745091

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole?
The IUPAC name of 5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole (CID 84678196) is 5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for 5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for 5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole is CC(C)c1nc2cc(C(F)F)ccc2o1.
What is the InChIKey of 5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole?
The InChIKey is RJNRPZFILJIEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-6(2)11-14-8-5-7(10(12)13)3-4-9(8)15-11/h3-6,10H,1-2H3.
What are the key properties of 5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole?
5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole has a molecular weight of 211.21 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 84678196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).