2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile

C11H18F2N2O — CID 82006690

IUPAC2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(COCC(F)F)C1CC1
InChIInChI=1S/C11H18F2N2O/c1-8(2)15-11(6-14,9-3-4-9)7-16-5-10(12)13/h8-10,15H,3-5,7H2,1-2H3
InChIKeyHSUFWWFBIRKXDU-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.94
Rot. Bonds7

About 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile

2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile (PubChem CID 82006690) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile
PubChem CID82006690
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(COCC(F)F)C1CC1
InChIInChI=1S/C11H18F2N2O/c1-8(2)15-11(6-14,9-3-4-9)7-16-5-10(12)13/h8-10,15H,3-5,7H2,1-2H3
InChIKeyHSUFWWFBIRKXDU-UHFFFAOYSA-N
XLogP1.94
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-Cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
CID 63906291
2-Cyclopropyl-2-(ethylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
CID 63906496
2-Cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
CID 63906499
2-Cyclopropyl-2-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
CID 63906713
2-Cyclopropyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
CID 63906714
1-cyclopropyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63912250
N-[1-cyclopropyl-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 63912680
2-(Cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile
CID 64725188
2-Cyclopropyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
CID 66274624
2-Cyclopropyl-2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
CID 66274847

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile (CID 82006690) is 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile is CC(C)NC(C#N)(COCC(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile?
The InChIKey is HSUFWWFBIRKXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c1-8(2)15-11(6-14,9-3-4-9)7-16-5-10(12)13/h8-10,15H,3-5,7H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile?
2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile has a molecular weight of 232.27 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 82006690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).