2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile

C8H13F3N2O — CID 103367746

IUPAC2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCN(CCO)CC(C#N)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-2-13(3-4-14)6-7(5-12)8(9,10)11/h7,14H,2-4,6H2,1H3
InChIKeyBPNCUOMBPWZXLZ-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.00
Rot. Bonds5

About 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile

2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103367746) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103367746
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCN(CCO)CC(C#N)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-2-13(3-4-14)6-7(5-12)8(9,10)11/h7,14H,2-4,6H2,1H3
InChIKeyBPNCUOMBPWZXLZ-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile (CID 103367746) is 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile is CCN(CCO)CC(C#N)C(F)(F)F.
What is the InChIKey of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is BPNCUOMBPWZXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-2-13(3-4-14)6-7(5-12)8(9,10)11/h7,14H,2-4,6H2,1H3.
What are the key properties of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 210.20 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103367746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).