3-[2-methoxyethyl(4,4,4-trifluorobutyl)amino]propanenitrile

C10H17F3N2O — CID 115513918

IUPAC3-[2-methoxyethyl(4,4,4-trifluorobutyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CCCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-16-9-8-15(7-3-5-14)6-2-4-10(11,12)13/h2-4,6-9H2,1H3
InChIKeyDKXFXNZDBJNSCU-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.19
Rot. Bonds8

About 3-[2-methoxyethyl(4,4,4-trifluorobutyl)amino]propanenitrile

3-[2-methoxyethyl(4,4,4-trifluorobutyl)amino]propanenitrile (PubChem CID 115513918) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-[2-methoxyethyl(4,4,4-trifluorobutyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl(4,4,4-trifluorobutyl)amino]propanenitrile
PubChem CID115513918
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name3-[2-methoxyethyl(4,4,4-trifluorobutyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CCCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-16-9-8-15(7-3-5-14)6-2-4-10(11,12)13/h2-4,6-9H2,1H3
InChIKeyDKXFXNZDBJNSCU-UHFFFAOYSA-N
XLogP2.19
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile
CID 22497852
3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile
CID 63285655
N-(2-cyanoethyl)-4,4,4-trifluoro-N-(2-methoxyethyl)butane-1-sulfonamide
CID 82903400
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
methyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate
CID 63285080
3-[(2-bromo-3,3,3-trifluoropropyl)-(2-methoxyethyl)amino]propanenitrile
CID 64758977
3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile
CID 63285977
3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile
CID 63285436
N-(2-cyanoethyl)-N-methyl-2-(4,4,4-trifluorobutoxy)acetamide
CID 82788775
3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile
CID 63286745
3-[2-methoxyethyl(2-phenylethyl)amino]propanenitrile
CID 62050074
3-[(3-bromo-2-methylpropyl)-(2-methoxyethyl)amino]propanenitrile
CID 64995233

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(4,4,4-trifluorobutyl)amino]propanenitrile?
The IUPAC name of 3-[2-methoxyethyl(4,4,4-trifluorobutyl)amino]propanenitrile (CID 115513918) is 3-[2-methoxyethyl(4,4,4-trifluorobutyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methoxyethyl(4,4,4-trifluorobutyl)amino]propanenitrile?
The canonical SMILES for 3-[2-methoxyethyl(4,4,4-trifluorobutyl)amino]propanenitrile is COCCN(CCC#N)CCCC(F)(F)F.
What is the InChIKey of 3-[2-methoxyethyl(4,4,4-trifluorobutyl)amino]propanenitrile?
The InChIKey is DKXFXNZDBJNSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-16-9-8-15(7-3-5-14)6-2-4-10(11,12)13/h2-4,6-9H2,1H3.
What are the key properties of 3-[2-methoxyethyl(4,4,4-trifluorobutyl)amino]propanenitrile?
3-[2-methoxyethyl(4,4,4-trifluorobutyl)amino]propanenitrile has a molecular weight of 238.25 g/mol, XLogP of 2.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(4,4,4-trifluorobutyl)amino]propanenitrile is sourced from PubChem (CID 115513918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).