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

C10H15F3N2O — CID 66275283

IUPAC2-cyclopropyl-2-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
SMILESCNC(C#N)(COC(C)C(F)(F)F)C1CC1
InChIInChI=1S/C10H15F3N2O/c1-7(10(11,12)13)16-6-9(5-14,15-2)8-3-4-8/h7-8,15H,3-4,6H2,1-2H3
InChIKeyGAOLSPGVYVYWFQ-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.85
Rot. Bonds5

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

2-cyclopropyl-2-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile (PubChem CID 66275283) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
PubChem CID66275283
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2-cyclopropyl-2-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
SMILESCNC(C#N)(COC(C)C(F)(F)F)C1CC1
InChIInChI=1S/C10H15F3N2O/c1-7(10(11,12)13)16-6-9(5-14,15-2)8-3-4-8/h7-8,15H,3-4,6H2,1-2H3
InChIKeyGAOLSPGVYVYWFQ-UHFFFAOYSA-N
XLogP1.85
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile (CID 66275283) is 2-cyclopropyl-2-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile is CNC(C#N)(COC(C)C(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile?
The InChIKey is GAOLSPGVYVYWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-7(10(11,12)13)16-6-9(5-14,15-2)8-3-4-8/h7-8,15H,3-4,6H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile?
2-cyclopropyl-2-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile has a molecular weight of 236.24 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile is sourced from PubChem (CID 66275283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).