5-ethoxy-1,1,1-trifluoro-5-methylheptan-4-amine

C10H20F3NO — CID 116758510

IUPAC5-ethoxy-1,1,1-trifluoro-5-methylheptan-4-amine
SMILESCCOC(C)(CC)C(N)CCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-9(3,15-5-2)8(14)6-7-10(11,12)13/h8H,4-7,14H2,1-3H3
InChIKeyFLZPHHWIQDBXMZ-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.86
Rot. Bonds6

About 5-ethoxy-1,1,1-trifluoro-5-methylheptan-4-amine

5-ethoxy-1,1,1-trifluoro-5-methylheptan-4-amine (PubChem CID 116758510) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-ethoxy-1,1,1-trifluoro-5-methylheptan-4-amine.

Molecular Properties

Compound Name5-ethoxy-1,1,1-trifluoro-5-methylheptan-4-amine
PubChem CID116758510
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name5-ethoxy-1,1,1-trifluoro-5-methylheptan-4-amine
SMILESCCOC(C)(CC)C(N)CCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-9(3,15-5-2)8(14)6-7-10(11,12)13/h8H,4-7,14H2,1-3H3
InChIKeyFLZPHHWIQDBXMZ-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethoxy-1,1,1-trifluoro-5-methylheptan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,1,1-trifluoro-5-methylheptan-4-amine?
The IUPAC name of 5-ethoxy-1,1,1-trifluoro-5-methylheptan-4-amine (CID 116758510) is 5-ethoxy-1,1,1-trifluoro-5-methylheptan-4-amine.
What is the SMILES notation for 5-ethoxy-1,1,1-trifluoro-5-methylheptan-4-amine?
The canonical SMILES for 5-ethoxy-1,1,1-trifluoro-5-methylheptan-4-amine is CCOC(C)(CC)C(N)CCC(F)(F)F.
What is the InChIKey of 5-ethoxy-1,1,1-trifluoro-5-methylheptan-4-amine?
The InChIKey is FLZPHHWIQDBXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-4-9(3,15-5-2)8(14)6-7-10(11,12)13/h8H,4-7,14H2,1-3H3.
What are the key properties of 5-ethoxy-1,1,1-trifluoro-5-methylheptan-4-amine?
5-ethoxy-1,1,1-trifluoro-5-methylheptan-4-amine has a molecular weight of 227.27 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,1,1-trifluoro-5-methylheptan-4-amine is sourced from PubChem (CID 116758510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).