2-ethoxy-7,7,7-trifluoro-N,2-dimethylheptan-3-amine

C11H22F3NO — CID 116726559

IUPAC2-ethoxy-7,7,7-trifluoro-N,2-dimethylheptan-3-amine
SMILESCCOC(C)(C)C(CCCC(F)(F)F)NC
InChIInChI=1S/C11H22F3NO/c1-5-16-10(2,3)9(15-4)7-6-8-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyOZQXEKWRDFMJGM-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds7

About 2-ethoxy-7,7,7-trifluoro-N,2-dimethylheptan-3-amine

2-ethoxy-7,7,7-trifluoro-N,2-dimethylheptan-3-amine (PubChem CID 116726559) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-ethoxy-7,7,7-trifluoro-N,2-dimethylheptan-3-amine.

Molecular Properties

Compound Name2-ethoxy-7,7,7-trifluoro-N,2-dimethylheptan-3-amine
PubChem CID116726559
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name2-ethoxy-7,7,7-trifluoro-N,2-dimethylheptan-3-amine
SMILESCCOC(C)(C)C(CCCC(F)(F)F)NC
InChIInChI=1S/C11H22F3NO/c1-5-16-10(2,3)9(15-4)7-6-8-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyOZQXEKWRDFMJGM-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-7,7,7-trifluoro-N,2-dimethylheptan-3-amine?
The IUPAC name of 2-ethoxy-7,7,7-trifluoro-N,2-dimethylheptan-3-amine (CID 116726559) is 2-ethoxy-7,7,7-trifluoro-N,2-dimethylheptan-3-amine.
What is the SMILES notation for 2-ethoxy-7,7,7-trifluoro-N,2-dimethylheptan-3-amine?
The canonical SMILES for 2-ethoxy-7,7,7-trifluoro-N,2-dimethylheptan-3-amine is CCOC(C)(C)C(CCCC(F)(F)F)NC.
What is the InChIKey of 2-ethoxy-7,7,7-trifluoro-N,2-dimethylheptan-3-amine?
The InChIKey is OZQXEKWRDFMJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-5-16-10(2,3)9(15-4)7-6-8-11(12,13)14/h9,15H,5-8H2,1-4H3.
What are the key properties of 2-ethoxy-7,7,7-trifluoro-N,2-dimethylheptan-3-amine?
2-ethoxy-7,7,7-trifluoro-N,2-dimethylheptan-3-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-7,7,7-trifluoro-N,2-dimethylheptan-3-amine is sourced from PubChem (CID 116726559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).