2-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3,3,3-trifluoropropanenitrile

C10H16F3N3O — CID 103371801

IUPAC2-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3,3,3-trifluoropropanenitrile
SMILESCC(N)C1CN(CC(C#N)C(F)(F)F)CCO1
InChIInChI=1S/C10H16F3N3O/c1-7(15)9-6-16(2-3-17-9)5-8(4-14)10(11,12)13/h7-9H,2-3,5-6,15H2,1H3
InChIKeySXEOUCQHZRTXLD-UHFFFAOYSA-N
MW251.25 g/mol
LogP0.74
Rot. Bonds3

About 2-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3,3,3-trifluoropropanenitrile

2-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103371801) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103371801
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name2-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3,3,3-trifluoropropanenitrile
SMILESCC(N)C1CN(CC(C#N)C(F)(F)F)CCO1
InChIInChI=1S/C10H16F3N3O/c1-7(15)9-6-16(2-3-17-9)5-8(4-14)10(11,12)13/h7-9H,2-3,5-6,15H2,1H3
InChIKeySXEOUCQHZRTXLD-UHFFFAOYSA-N
XLogP0.74
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3,3,3-trifluoropropanenitrile (CID 103371801) is 2-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3,3,3-trifluoropropanenitrile is CC(N)C1CN(CC(C#N)C(F)(F)F)CCO1.
What is the InChIKey of 2-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is SXEOUCQHZRTXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-7(15)9-6-16(2-3-17-9)5-8(4-14)10(11,12)13/h7-9H,2-3,5-6,15H2,1H3.
What are the key properties of 2-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3,3,3-trifluoropropanenitrile?
2-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 251.25 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103371801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).