2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile

C11H19F3N2O — CID 64725390

IUPAC2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile
SMILESCC(C)NC(C)(C#N)CC(C)OCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-8(2)16-10(4,6-15)5-9(3)17-7-11(12,13)14/h8-9,16H,5,7H2,1-4H3
InChIKeyZHNYREXKNUTBQF-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.62
Rot. Bonds6

About 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile

2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile (PubChem CID 64725390) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile
PubChem CID64725390
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile
SMILESCC(C)NC(C)(C#N)CC(C)OCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-8(2)16-10(4,6-15)5-9(3)17-7-11(12,13)14/h8-9,16H,5,7H2,1-4H3
InChIKeyZHNYREXKNUTBQF-UHFFFAOYSA-N
XLogP2.62
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentanenitrile
CID 60997688
2-Methyl-2-(propan-2-ylamino)-5-(2,2,2-trifluoroethoxy)pentanenitrile
CID 61906098
2-(Cyclopropylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentanenitrile
CID 61906099
2-(Ethylamino)-2-methyl-5-(2,2,2-trifluoroethoxy)pentanenitrile
CID 61906965
2-Methyl-2-(propylamino)-5-(2,2,2-trifluoroethoxy)pentanenitrile
CID 61906966
2-(Ethylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)butanenitrile
CID 61925987
2-Methyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butanenitrile
CID 61926190
2-Methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanenitrile
CID 61926191
2-(Cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)butanenitrile
CID 61926192
2-Methyl-4-(2,2,2-trifluoroethylamino)oxane-4-carbonitrile
CID 64110115
2-(Cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile
CID 64725188
2-Methyl-2-(methylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile
CID 64725189

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile (CID 64725390) is 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile is CC(C)NC(C)(C#N)CC(C)OCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile?
The InChIKey is ZHNYREXKNUTBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-8(2)16-10(4,6-15)5-9(3)17-7-11(12,13)14/h8-9,16H,5,7H2,1-4H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile?
2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile has a molecular weight of 252.28 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanenitrile is sourced from PubChem (CID 64725390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).