2-cyclopropyl-2-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile

C12H17F3N2O — CID 66276792

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
SMILESCC(OCC(C#N)(NC1CC1)C1CC1)C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-8(12(13,14)15)18-7-11(6-16,9-2-3-9)17-10-4-5-10/h8-10,17H,2-5,7H2,1H3
InChIKeyVEUQFWCFOXBDNZ-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.38
Rot. Bonds6

About 2-cyclopropyl-2-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile

2-cyclopropyl-2-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile (PubChem CID 66276792) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
PubChem CID66276792
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
SMILESCC(OCC(C#N)(NC1CC1)C1CC1)C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-8(12(13,14)15)18-7-11(6-16,9-2-3-9)17-10-4-5-10/h8-10,17H,2-5,7H2,1H3
InChIKeyVEUQFWCFOXBDNZ-UHFFFAOYSA-N
XLogP2.38
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile (CID 66276792) is 2-cyclopropyl-2-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile is CC(OCC(C#N)(NC1CC1)C1CC1)C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile?
The InChIKey is VEUQFWCFOXBDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-8(12(13,14)15)18-7-11(6-16,9-2-3-9)17-10-4-5-10/h8-10,17H,2-5,7H2,1H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile?
2-cyclopropyl-2-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile has a molecular weight of 262.27 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile is sourced from PubChem (CID 66276792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).