2-(ethylamino)-2-methyl-3-(3,3,3-trifluoropropoxy)propanenitrile

C9H15F3N2O — CID 82958525

IUPAC2-(ethylamino)-2-methyl-3-(3,3,3-trifluoropropoxy)propanenitrile
SMILESCCNC(C)(C#N)COCCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-3-14-8(2,6-13)7-15-5-4-9(10,11)12/h14H,3-5,7H2,1-2H3
InChIKeyNVPNWOOTKFVSFU-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.85
Rot. Bonds6

About 2-(ethylamino)-2-methyl-3-(3,3,3-trifluoropropoxy)propanenitrile

2-(ethylamino)-2-methyl-3-(3,3,3-trifluoropropoxy)propanenitrile (PubChem CID 82958525) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-3-(3,3,3-trifluoropropoxy)propanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-3-(3,3,3-trifluoropropoxy)propanenitrile
PubChem CID82958525
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name2-(ethylamino)-2-methyl-3-(3,3,3-trifluoropropoxy)propanenitrile
SMILESCCNC(C)(C#N)COCCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-3-14-8(2,6-13)7-15-5-4-9(10,11)12/h14H,3-5,7H2,1-2H3
InChIKeyNVPNWOOTKFVSFU-UHFFFAOYSA-N
XLogP1.85
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile
CID 116535435
2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile
CID 104564895
5-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentanenitrile
CID 66225414
2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile
CID 82958723
2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile
CID 104564868
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile
CID 104564842
2-(ethylamino)-2-methyl-3-(oxan-4-ylmethoxy)propanenitrile
CID 62384296
4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylbutanenitrile
CID 82959910
N-tert-butyl-2,2-dimethyl-3-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82956991
2-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropanenitrile
CID 66227202
N-ethyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958004
N-tert-butyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958390

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-3-(3,3,3-trifluoropropoxy)propanenitrile?
The IUPAC name of 2-(ethylamino)-2-methyl-3-(3,3,3-trifluoropropoxy)propanenitrile (CID 82958525) is 2-(ethylamino)-2-methyl-3-(3,3,3-trifluoropropoxy)propanenitrile.
What is the SMILES notation for 2-(ethylamino)-2-methyl-3-(3,3,3-trifluoropropoxy)propanenitrile?
The canonical SMILES for 2-(ethylamino)-2-methyl-3-(3,3,3-trifluoropropoxy)propanenitrile is CCNC(C)(C#N)COCCC(F)(F)F.
What is the InChIKey of 2-(ethylamino)-2-methyl-3-(3,3,3-trifluoropropoxy)propanenitrile?
The InChIKey is NVPNWOOTKFVSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-3-14-8(2,6-13)7-15-5-4-9(10,11)12/h14H,3-5,7H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-methyl-3-(3,3,3-trifluoropropoxy)propanenitrile?
2-(ethylamino)-2-methyl-3-(3,3,3-trifluoropropoxy)propanenitrile has a molecular weight of 224.23 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-3-(3,3,3-trifluoropropoxy)propanenitrile is sourced from PubChem (CID 82958525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).