3-[ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile

C8H13F3N2O — CID 63900827

IUPAC3-[ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile
SMILESCCN(CCC#N)CC(O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-2-13(5-3-4-12)6-7(14)8(9,10)11/h7,14H,2-3,5-6H2,1H3
InChIKeyFUUHBIXGPGQEAV-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.15
Rot. Bonds5

About 3-[ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile

3-[ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile (PubChem CID 63900827) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 3-[ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile
PubChem CID63900827
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name3-[ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile
SMILESCCN(CCC#N)CC(O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-2-13(5-3-4-12)6-7(14)8(9,10)11/h7,14H,2-3,5-6H2,1H3
InChIKeyFUUHBIXGPGQEAV-UHFFFAOYSA-N
XLogP1.15
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-methylpropyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile
CID 63900625
1,1,1-trifluoro-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
CID 63899795
3-(dibutylamino)-1,1,1-trifluoropropan-2-ol
CID 63901016
(4R)-5,5,5-trifluoro-4-hydroxypentanenitrile
CID 10725545
2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetonitrile
CID 63900671
3-[ethyl-[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]propanenitrile
CID 111634222
N-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309842
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]-ethylamino]propanenitrile
CID 111634689
3-[[2-(2-aminophenyl)-2-hydroxyethyl]-ethylamino]propanenitrile
CID 62266148
3-[(2-bromo-3,3,3-trifluoropropyl)-(2-methoxyethyl)amino]propanenitrile
CID 64758977
2-[[2-cyanoethyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367843
3-[ethyl-[2-(sulfanylmethyl)prop-2-enyl]amino]propanenitrile
CID 103073412

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile?
The IUPAC name of 3-[ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile (CID 63900827) is 3-[ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile.
What is the SMILES notation for 3-[ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile?
The canonical SMILES for 3-[ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile is CCN(CCC#N)CC(O)C(F)(F)F.
What is the InChIKey of 3-[ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile?
The InChIKey is FUUHBIXGPGQEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-2-13(5-3-4-12)6-7(14)8(9,10)11/h7,14H,2-3,5-6H2,1H3.
What are the key properties of 3-[ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile?
3-[ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile has a molecular weight of 210.20 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile is sourced from PubChem (CID 63900827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).