3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propan-1-amine

C8H15F3N2O — CID 63227850

IUPAC3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propan-1-amine
SMILESFC(F)(F)CCNCC1CNCCO1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)1-2-12-5-7-6-13-3-4-14-7/h7,12-13H,1-6H2
InChIKeyPBIZXUVSEBYKBS-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.52
Rot. Bonds4

About 3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propan-1-amine

3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propan-1-amine (PubChem CID 63227850) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propan-1-amine
PubChem CID63227850
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propan-1-amine
SMILESFC(F)(F)CCNCC1CNCCO1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)1-2-12-5-7-6-13-3-4-14-7/h7,12-13H,1-6H2
InChIKeyPBIZXUVSEBYKBS-UHFFFAOYSA-N
XLogP0.52
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propan-1-amine (CID 63227850) is 3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propan-1-amine is FC(F)(F)CCNCC1CNCCO1.
What is the InChIKey of 3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propan-1-amine?
The InChIKey is PBIZXUVSEBYKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)1-2-12-5-7-6-13-3-4-14-7/h7,12-13H,1-6H2.
What are the key properties of 3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propan-1-amine?
3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propan-1-amine has a molecular weight of 212.21 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 63227850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).