3,3,3-trifluoro-2-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propan-1-amine

C11H18F6N2O — CID 160816877

IUPAC3,3,3-trifluoro-2-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propan-1-amine
SMILESCC(CNCCN1CCOCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H18F6N2O/c1-9(10(12,13)14,11(15,16)17)8-18-2-3-19-4-6-20-7-5-19/h18H,2-8H2,1H3
InChIKeySKEQKQLVLMITPK-UHFFFAOYSA-N
MW308.27 g/mol
LogP2.04
Rot. Bonds5

About 3,3,3-trifluoro-2-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propan-1-amine

3,3,3-trifluoro-2-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propan-1-amine (PubChem CID 160816877) has the molecular formula C11H18F6N2O and a molecular weight of 308.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propan-1-amine
PubChem CID160816877
Molecular FormulaC11H18F6N2O
Molecular Weight308.27 g/mol
Exact Mass308.13
IUPAC Name3,3,3-trifluoro-2-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propan-1-amine
SMILESCC(CNCCN1CCOCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H18F6N2O/c1-9(10(12,13)14,11(15,16)17)8-18-2-3-19-4-6-20-7-5-19/h18H,2-8H2,1H3
InChIKeySKEQKQLVLMITPK-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
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-2-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propan-1-amine (CID 160816877) is 3,3,3-trifluoro-2-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propan-1-amine is CC(CNCCN1CCOCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propan-1-amine?
The InChIKey is SKEQKQLVLMITPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F6N2O/c1-9(10(12,13)14,11(15,16)17)8-18-2-3-19-4-6-20-7-5-19/h18H,2-8H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propan-1-amine?
3,3,3-trifluoro-2-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propan-1-amine has a molecular weight of 308.27 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 160816877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).