[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanamine

C7H13F3N2O — CID 83096646

IUPAC[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanamine
SMILESNCC1COCCN1CC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)5-12-1-2-13-4-6(12)3-11/h6H,1-5,11H2
InChIKeyMHHBNWBHTGZGJJ-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.21
Rot. Bonds2

About [4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanamine

[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanamine (PubChem CID 83096646) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is [4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanamine.

Molecular Properties

Compound Name[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanamine
PubChem CID83096646
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanamine
SMILESNCC1COCCN1CC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)5-12-1-2-13-4-6(12)3-11/h6H,1-5,11H2
InChIKeyMHHBNWBHTGZGJJ-UHFFFAOYSA-N
XLogP0.21
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanamine?
The IUPAC name of [4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanamine (CID 83096646) is [4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanamine.
What is the SMILES notation for [4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanamine?
The canonical SMILES for [4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanamine is NCC1COCCN1CC(F)(F)F.
What is the InChIKey of [4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanamine?
The InChIKey is MHHBNWBHTGZGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c8-7(9,10)5-12-1-2-13-4-6(12)3-11/h6H,1-5,11H2.
What are the key properties of [4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanamine?
[4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanamine has a molecular weight of 198.19 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanamine is sourced from PubChem (CID 83096646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).