1-(1,3-benzoxazol-6-yl)-1,1-difluoro-2-methylpropan-2-amine

C11H12F2N2O — CID 116839440

IUPAC1-(1,3-benzoxazol-6-yl)-1,1-difluoro-2-methylpropan-2-amine
SMILESCC(C)(N)C(F)(F)c1ccc2ncoc2c1
InChIInChI=1S/C11H12F2N2O/c1-10(2,14)11(12,13)7-3-4-8-9(5-7)16-6-15-8/h3-6H,14H2,1-2H3
InChIKeyPRILDFSGNQXRQR-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.66
Rot. Bonds2

About 1-(1,3-benzoxazol-6-yl)-1,1-difluoro-2-methylpropan-2-amine

1-(1,3-benzoxazol-6-yl)-1,1-difluoro-2-methylpropan-2-amine (PubChem CID 116839440) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-6-yl)-1,1-difluoro-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1,3-benzoxazol-6-yl)-1,1-difluoro-2-methylpropan-2-amine
PubChem CID116839440
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name1-(1,3-benzoxazol-6-yl)-1,1-difluoro-2-methylpropan-2-amine
SMILESCC(C)(N)C(F)(F)c1ccc2ncoc2c1
InChIInChI=1S/C11H12F2N2O/c1-10(2,14)11(12,13)7-3-4-8-9(5-7)16-6-15-8/h3-6H,14H2,1-2H3
InChIKeyPRILDFSGNQXRQR-UHFFFAOYSA-N
XLogP2.66
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-6-yl)-1,1-difluoro-2-methylpropan-2-amine?
The IUPAC name of 1-(1,3-benzoxazol-6-yl)-1,1-difluoro-2-methylpropan-2-amine (CID 116839440) is 1-(1,3-benzoxazol-6-yl)-1,1-difluoro-2-methylpropan-2-amine.
What is the SMILES notation for 1-(1,3-benzoxazol-6-yl)-1,1-difluoro-2-methylpropan-2-amine?
The canonical SMILES for 1-(1,3-benzoxazol-6-yl)-1,1-difluoro-2-methylpropan-2-amine is CC(C)(N)C(F)(F)c1ccc2ncoc2c1.
What is the InChIKey of 1-(1,3-benzoxazol-6-yl)-1,1-difluoro-2-methylpropan-2-amine?
The InChIKey is PRILDFSGNQXRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c1-10(2,14)11(12,13)7-3-4-8-9(5-7)16-6-15-8/h3-6H,14H2,1-2H3.
What are the key properties of 1-(1,3-benzoxazol-6-yl)-1,1-difluoro-2-methylpropan-2-amine?
1-(1,3-benzoxazol-6-yl)-1,1-difluoro-2-methylpropan-2-amine has a molecular weight of 226.23 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-6-yl)-1,1-difluoro-2-methylpropan-2-amine is sourced from PubChem (CID 116839440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).