[4-[2-(trifluoromethoxy)ethyl]morpholin-3-yl]methanamine

C8H15F3N2O2 — CID 83096053

IUPAC[4-[2-(trifluoromethoxy)ethyl]morpholin-3-yl]methanamine
SMILESNCC1COCCN1CCOC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c9-8(10,11)15-4-2-13-1-3-14-6-7(13)5-12/h7H,1-6,12H2
InChIKeySKDSOLIVNSCJNC-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.18
Rot. Bonds4

About [4-[2-(trifluoromethoxy)ethyl]morpholin-3-yl]methanamine

[4-[2-(trifluoromethoxy)ethyl]morpholin-3-yl]methanamine (PubChem CID 83096053) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is [4-[2-(trifluoromethoxy)ethyl]morpholin-3-yl]methanamine.

Molecular Properties

Compound Name[4-[2-(trifluoromethoxy)ethyl]morpholin-3-yl]methanamine
PubChem CID83096053
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name[4-[2-(trifluoromethoxy)ethyl]morpholin-3-yl]methanamine
SMILESNCC1COCCN1CCOC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c9-8(10,11)15-4-2-13-1-3-14-6-7(13)5-12/h7H,1-6,12H2
InChIKeySKDSOLIVNSCJNC-UHFFFAOYSA-N
XLogP0.18
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(trifluoromethoxy)ethyl]morpholin-3-yl]methanamine?
The IUPAC name of [4-[2-(trifluoromethoxy)ethyl]morpholin-3-yl]methanamine (CID 83096053) is [4-[2-(trifluoromethoxy)ethyl]morpholin-3-yl]methanamine.
What is the SMILES notation for [4-[2-(trifluoromethoxy)ethyl]morpholin-3-yl]methanamine?
The canonical SMILES for [4-[2-(trifluoromethoxy)ethyl]morpholin-3-yl]methanamine is NCC1COCCN1CCOC(F)(F)F.
What is the InChIKey of [4-[2-(trifluoromethoxy)ethyl]morpholin-3-yl]methanamine?
The InChIKey is SKDSOLIVNSCJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c9-8(10,11)15-4-2-13-1-3-14-6-7(13)5-12/h7H,1-6,12H2.
What are the key properties of [4-[2-(trifluoromethoxy)ethyl]morpholin-3-yl]methanamine?
[4-[2-(trifluoromethoxy)ethyl]morpholin-3-yl]methanamine has a molecular weight of 228.21 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(trifluoromethoxy)ethyl]morpholin-3-yl]methanamine is sourced from PubChem (CID 83096053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).