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

C8H13F3N2O2 — CID 103367753

IUPAC2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESN#CC(CN(CCO)CCO)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)7(5-12)6-13(1-3-14)2-4-15/h7,14-15H,1-4,6H2
InChIKeyXAPUKNZHMRHHLW-UHFFFAOYSA-N
MW226.20 g/mol
LogP-0.02
Rot. Bonds6

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

2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103367753) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103367753
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESN#CC(CN(CCO)CCO)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)7(5-12)6-13(1-3-14)2-4-15/h7,14-15H,1-4,6H2
InChIKeyXAPUKNZHMRHHLW-UHFFFAOYSA-N
XLogP-0.02
TPSA67.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile (CID 103367753) is 2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile is N#CC(CN(CCO)CCO)C(F)(F)F.
What is the InChIKey of 2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is XAPUKNZHMRHHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)7(5-12)6-13(1-3-14)2-4-15/h7,14-15H,1-4,6H2.
What are the key properties of 2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 226.20 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103367753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).