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

C10H20F3NO — CID 115516831

IUPAC2-ethoxy-7,7,7-trifluoro-N-methylheptan-3-amine
SMILESCCOC(C)C(CCCC(F)(F)F)NC
InChIInChI=1S/C10H20F3NO/c1-4-15-8(2)9(14-3)6-5-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyDVALKTQTGBIPJS-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds7

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

2-ethoxy-7,7,7-trifluoro-N-methylheptan-3-amine (PubChem CID 115516831) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-ethoxy-7,7,7-trifluoro-N-methylheptan-3-amine.

Molecular Properties

Compound Name2-ethoxy-7,7,7-trifluoro-N-methylheptan-3-amine
PubChem CID115516831
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name2-ethoxy-7,7,7-trifluoro-N-methylheptan-3-amine
SMILESCCOC(C)C(CCCC(F)(F)F)NC
InChIInChI=1S/C10H20F3NO/c1-4-15-8(2)9(14-3)6-5-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyDVALKTQTGBIPJS-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethoxy-7,7,7-trifluoro-N-methylheptan-3-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 2-ethoxy-7,7,7-trifluoro-N-methylheptan-3-amine?
The IUPAC name of 2-ethoxy-7,7,7-trifluoro-N-methylheptan-3-amine (CID 115516831) is 2-ethoxy-7,7,7-trifluoro-N-methylheptan-3-amine.
What is the SMILES notation for 2-ethoxy-7,7,7-trifluoro-N-methylheptan-3-amine?
The canonical SMILES for 2-ethoxy-7,7,7-trifluoro-N-methylheptan-3-amine is CCOC(C)C(CCCC(F)(F)F)NC.
What is the InChIKey of 2-ethoxy-7,7,7-trifluoro-N-methylheptan-3-amine?
The InChIKey is DVALKTQTGBIPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-4-15-8(2)9(14-3)6-5-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 2-ethoxy-7,7,7-trifluoro-N-methylheptan-3-amine?
2-ethoxy-7,7,7-trifluoro-N-methylheptan-3-amine has a molecular weight of 227.27 g/mol, XLogP of 2.73, 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-methylheptan-3-amine is sourced from PubChem (CID 115516831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).