3-ethoxy-8,8,8-trifluoro-2-methyloctan-4-amine

C11H22F3NO — CID 116720879

IUPAC3-ethoxy-8,8,8-trifluoro-2-methyloctan-4-amine
SMILESCCOC(C(C)C)C(N)CCCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-16-10(8(2)3)9(15)6-5-7-11(12,13)14/h8-10H,4-7,15H2,1-3H3
InChIKeyOJECSZDSWDOZIN-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.11
Rot. Bonds7

About 3-ethoxy-8,8,8-trifluoro-2-methyloctan-4-amine

3-ethoxy-8,8,8-trifluoro-2-methyloctan-4-amine (PubChem CID 116720879) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 3-ethoxy-8,8,8-trifluoro-2-methyloctan-4-amine.

Molecular Properties

Compound Name3-ethoxy-8,8,8-trifluoro-2-methyloctan-4-amine
PubChem CID116720879
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name3-ethoxy-8,8,8-trifluoro-2-methyloctan-4-amine
SMILESCCOC(C(C)C)C(N)CCCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-16-10(8(2)3)9(15)6-5-7-11(12,13)14/h8-10H,4-7,15H2,1-3H3
InChIKeyOJECSZDSWDOZIN-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-8,8,8-trifluoro-2-methyloctan-4-amine?
The IUPAC name of 3-ethoxy-8,8,8-trifluoro-2-methyloctan-4-amine (CID 116720879) is 3-ethoxy-8,8,8-trifluoro-2-methyloctan-4-amine.
What is the SMILES notation for 3-ethoxy-8,8,8-trifluoro-2-methyloctan-4-amine?
The canonical SMILES for 3-ethoxy-8,8,8-trifluoro-2-methyloctan-4-amine is CCOC(C(C)C)C(N)CCCC(F)(F)F.
What is the InChIKey of 3-ethoxy-8,8,8-trifluoro-2-methyloctan-4-amine?
The InChIKey is OJECSZDSWDOZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-4-16-10(8(2)3)9(15)6-5-7-11(12,13)14/h8-10H,4-7,15H2,1-3H3.
What are the key properties of 3-ethoxy-8,8,8-trifluoro-2-methyloctan-4-amine?
3-ethoxy-8,8,8-trifluoro-2-methyloctan-4-amine has a molecular weight of 241.30 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-8,8,8-trifluoro-2-methyloctan-4-amine is sourced from PubChem (CID 116720879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).