2-(cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile

C11H17F3N2O — CID 64725188

IUPAC2-(cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile
SMILESCC(CC(C)(C#N)NC1CC1)OCC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-8(17-7-11(12,13)14)5-10(2,6-15)16-9-3-4-9/h8-9,16H,3-5,7H2,1-2H3
InChIKeyIXJMGRFYWFOQNV-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.38
Rot. Bonds6

About 2-(cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile

2-(cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile (PubChem CID 64725188) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile
PubChem CID64725188
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile
SMILESCC(CC(C)(C#N)NC1CC1)OCC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-8(17-7-11(12,13)14)5-10(2,6-15)16-9-3-4-9/h8-9,16H,3-5,7H2,1-2H3
InChIKeyIXJMGRFYWFOQNV-UHFFFAOYSA-N
XLogP2.38
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
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-(cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile (CID 64725188) is 2-(cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile is CC(CC(C)(C#N)NC1CC1)OCC(F)(F)F.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile?
The InChIKey is IXJMGRFYWFOQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-8(17-7-11(12,13)14)5-10(2,6-15)16-9-3-4-9/h8-9,16H,3-5,7H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile?
2-(cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile has a molecular weight of 250.26 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-(cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile is sourced from PubChem (CID 64725188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).