2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine

C11H19F6NO — CID 158575551

IUPAC2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCCOC(CNC(C)C)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C11H19F6NO/c1-4-19-9(5-10(12,13)14,6-11(15,16)17)7-18-8(2)3/h8,18H,4-7H2,1-3H3
InChIKeyCXAGQEDPMQGYME-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.66
Rot. Bonds7

About 2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine

2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine (PubChem CID 158575551) has the molecular formula C11H19F6NO and a molecular weight of 295.27 g/mol. Its IUPAC name is 2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine
PubChem CID158575551
Molecular FormulaC11H19F6NO
Molecular Weight295.27 g/mol
Exact Mass295.14
IUPAC Name2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCCOC(CNC(C)C)(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C11H19F6NO/c1-4-19-9(5-10(12,13)14,6-11(15,16)17)7-18-8(2)3/h8,18H,4-7H2,1-3H3
InChIKeyCXAGQEDPMQGYME-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine?
The IUPAC name of 2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine (CID 158575551) is 2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine is CCOC(CNC(C)C)(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine?
The InChIKey is CXAGQEDPMQGYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F6NO/c1-4-19-9(5-10(12,13)14,6-11(15,16)17)7-18-8(2)3/h8,18H,4-7H2,1-3H3.
What are the key properties of 2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine?
2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine has a molecular weight of 295.27 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine is sourced from PubChem (CID 158575551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).