2-(1,1-difluoropropan-2-ylamino)-6-methylbenzonitrile

C11H12F2N2 — CID 107803393

IUPAC2-(1,1-difluoropropan-2-ylamino)-6-methylbenzonitrile
SMILESCc1cccc(NC(C)C(F)F)c1C#N
InChIInChI=1S/C11H12F2N2/c1-7-4-3-5-10(9(7)6-14)15-8(2)11(12)13/h3-5,8,11,15H,1-2H3
InChIKeyFYSRFZRPXZOYLI-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.93
Rot. Bonds3

About 2-(1,1-difluoropropan-2-ylamino)-6-methylbenzonitrile

2-(1,1-difluoropropan-2-ylamino)-6-methylbenzonitrile (PubChem CID 107803393) has the molecular formula C11H12F2N2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(1,1-difluoropropan-2-ylamino)-6-methylbenzonitrile.

Molecular Properties

Compound Name2-(1,1-difluoropropan-2-ylamino)-6-methylbenzonitrile
PubChem CID107803393
Molecular FormulaC11H12F2N2
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(1,1-difluoropropan-2-ylamino)-6-methylbenzonitrile
SMILESCc1cccc(NC(C)C(F)F)c1C#N
InChIInChI=1S/C11H12F2N2/c1-7-4-3-5-10(9(7)6-14)15-8(2)11(12)13/h3-5,8,11,15H,1-2H3
InChIKeyFYSRFZRPXZOYLI-UHFFFAOYSA-N
XLogP2.93
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoropropan-2-ylamino)-6-methylbenzonitrile?
The IUPAC name of 2-(1,1-difluoropropan-2-ylamino)-6-methylbenzonitrile (CID 107803393) is 2-(1,1-difluoropropan-2-ylamino)-6-methylbenzonitrile.
What is the SMILES notation for 2-(1,1-difluoropropan-2-ylamino)-6-methylbenzonitrile?
The canonical SMILES for 2-(1,1-difluoropropan-2-ylamino)-6-methylbenzonitrile is Cc1cccc(NC(C)C(F)F)c1C#N.
What is the InChIKey of 2-(1,1-difluoropropan-2-ylamino)-6-methylbenzonitrile?
The InChIKey is FYSRFZRPXZOYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2/c1-7-4-3-5-10(9(7)6-14)15-8(2)11(12)13/h3-5,8,11,15H,1-2H3.
What are the key properties of 2-(1,1-difluoropropan-2-ylamino)-6-methylbenzonitrile?
2-(1,1-difluoropropan-2-ylamino)-6-methylbenzonitrile has a molecular weight of 210.23 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoropropan-2-ylamino)-6-methylbenzonitrile is sourced from PubChem (CID 107803393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).