5-ethoxy-1,1,1-trifluoro-6-methylheptan-4-amine

C10H20F3NO — CID 116720843

IUPAC5-ethoxy-1,1,1-trifluoro-6-methylheptan-4-amine
SMILESCCOC(C(C)C)C(N)CCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-15-9(7(2)3)8(14)5-6-10(11,12)13/h7-9H,4-6,14H2,1-3H3
InChIKeyVACOFUGSSVCDRU-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.72
Rot. Bonds6

About 5-ethoxy-1,1,1-trifluoro-6-methylheptan-4-amine

5-ethoxy-1,1,1-trifluoro-6-methylheptan-4-amine (PubChem CID 116720843) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-ethoxy-1,1,1-trifluoro-6-methylheptan-4-amine.

Molecular Properties

Compound Name5-ethoxy-1,1,1-trifluoro-6-methylheptan-4-amine
PubChem CID116720843
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name5-ethoxy-1,1,1-trifluoro-6-methylheptan-4-amine
SMILESCCOC(C(C)C)C(N)CCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-15-9(7(2)3)8(14)5-6-10(11,12)13/h7-9H,4-6,14H2,1-3H3
InChIKeyVACOFUGSSVCDRU-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,1,1-trifluoro-6-methylheptan-4-amine?
The IUPAC name of 5-ethoxy-1,1,1-trifluoro-6-methylheptan-4-amine (CID 116720843) is 5-ethoxy-1,1,1-trifluoro-6-methylheptan-4-amine.
What is the SMILES notation for 5-ethoxy-1,1,1-trifluoro-6-methylheptan-4-amine?
The canonical SMILES for 5-ethoxy-1,1,1-trifluoro-6-methylheptan-4-amine is CCOC(C(C)C)C(N)CCC(F)(F)F.
What is the InChIKey of 5-ethoxy-1,1,1-trifluoro-6-methylheptan-4-amine?
The InChIKey is VACOFUGSSVCDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-4-15-9(7(2)3)8(14)5-6-10(11,12)13/h7-9H,4-6,14H2,1-3H3.
What are the key properties of 5-ethoxy-1,1,1-trifluoro-6-methylheptan-4-amine?
5-ethoxy-1,1,1-trifluoro-6-methylheptan-4-amine has a molecular weight of 227.27 g/mol, XLogP of 2.72, 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-6-methylheptan-4-amine is sourced from PubChem (CID 116720843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).