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

C10H17F3N2O — CID 103367788

IUPAC2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCCCN(CCO)CC(C#N)C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-2-3-4-15(5-6-16)8-9(7-14)10(11,12)13/h9,16H,2-6,8H2,1H3
InChIKeyDYHKZQRLXYLHEJ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.78
Rot. Bonds7

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

2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103367788) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103367788
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCCCN(CCO)CC(C#N)C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-2-3-4-15(5-6-16)8-9(7-14)10(11,12)13/h9,16H,2-6,8H2,1H3
InChIKeyDYHKZQRLXYLHEJ-UHFFFAOYSA-N
XLogP1.78
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile (CID 103367788) is 2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile is CCCCN(CCO)CC(C#N)C(F)(F)F.
What is the InChIKey of 2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is DYHKZQRLXYLHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-2-3-4-15(5-6-16)8-9(7-14)10(11,12)13/h9,16H,2-6,8H2,1H3.
What are the key properties of 2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 238.25 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103367788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).