5-ethoxy-5-ethyl-1,1,1-trifluoroheptan-4-amine

C11H22F3NO — CID 116759596

IUPAC5-ethoxy-5-ethyl-1,1,1-trifluoroheptan-4-amine
SMILESCCOC(CC)(CC)C(N)CCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-10(5-2,16-6-3)9(15)7-8-11(12,13)14/h9H,4-8,15H2,1-3H3
InChIKeyHAMZTTDMHQPJGF-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.25
Rot. Bonds7

About 5-ethoxy-5-ethyl-1,1,1-trifluoroheptan-4-amine

5-ethoxy-5-ethyl-1,1,1-trifluoroheptan-4-amine (PubChem CID 116759596) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 5-ethoxy-5-ethyl-1,1,1-trifluoroheptan-4-amine.

Molecular Properties

Compound Name5-ethoxy-5-ethyl-1,1,1-trifluoroheptan-4-amine
PubChem CID116759596
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name5-ethoxy-5-ethyl-1,1,1-trifluoroheptan-4-amine
SMILESCCOC(CC)(CC)C(N)CCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-10(5-2,16-6-3)9(15)7-8-11(12,13)14/h9H,4-8,15H2,1-3H3
InChIKeyHAMZTTDMHQPJGF-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-5-ethyl-1,1,1-trifluoroheptan-4-amine?
The IUPAC name of 5-ethoxy-5-ethyl-1,1,1-trifluoroheptan-4-amine (CID 116759596) is 5-ethoxy-5-ethyl-1,1,1-trifluoroheptan-4-amine.
What is the SMILES notation for 5-ethoxy-5-ethyl-1,1,1-trifluoroheptan-4-amine?
The canonical SMILES for 5-ethoxy-5-ethyl-1,1,1-trifluoroheptan-4-amine is CCOC(CC)(CC)C(N)CCC(F)(F)F.
What is the InChIKey of 5-ethoxy-5-ethyl-1,1,1-trifluoroheptan-4-amine?
The InChIKey is HAMZTTDMHQPJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-4-10(5-2,16-6-3)9(15)7-8-11(12,13)14/h9H,4-8,15H2,1-3H3.
What are the key properties of 5-ethoxy-5-ethyl-1,1,1-trifluoroheptan-4-amine?
5-ethoxy-5-ethyl-1,1,1-trifluoroheptan-4-amine has a molecular weight of 241.30 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-5-ethyl-1,1,1-trifluoroheptan-4-amine is sourced from PubChem (CID 116759596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).