2-ethoxy-6,6,6-trifluoro-N-methylhexan-3-amine

C9H18F3NO — CID 64566407

IUPAC2-ethoxy-6,6,6-trifluoro-N-methylhexan-3-amine
SMILESCCOC(C)C(CCC(F)(F)F)NC
InChIInChI=1S/C9H18F3NO/c1-4-14-7(2)8(13-3)5-6-9(10,11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyMAOINUCFILKXKM-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.34
Rot. Bonds6

About 2-ethoxy-6,6,6-trifluoro-N-methylhexan-3-amine

2-ethoxy-6,6,6-trifluoro-N-methylhexan-3-amine (PubChem CID 64566407) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-ethoxy-6,6,6-trifluoro-N-methylhexan-3-amine.

Molecular Properties

Compound Name2-ethoxy-6,6,6-trifluoro-N-methylhexan-3-amine
PubChem CID64566407
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name2-ethoxy-6,6,6-trifluoro-N-methylhexan-3-amine
SMILESCCOC(C)C(CCC(F)(F)F)NC
InChIInChI=1S/C9H18F3NO/c1-4-14-7(2)8(13-3)5-6-9(10,11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyMAOINUCFILKXKM-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6,6,6-trifluoro-N-methylhexan-3-amine?
The IUPAC name of 2-ethoxy-6,6,6-trifluoro-N-methylhexan-3-amine (CID 64566407) is 2-ethoxy-6,6,6-trifluoro-N-methylhexan-3-amine.
What is the SMILES notation for 2-ethoxy-6,6,6-trifluoro-N-methylhexan-3-amine?
The canonical SMILES for 2-ethoxy-6,6,6-trifluoro-N-methylhexan-3-amine is CCOC(C)C(CCC(F)(F)F)NC.
What is the InChIKey of 2-ethoxy-6,6,6-trifluoro-N-methylhexan-3-amine?
The InChIKey is MAOINUCFILKXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-4-14-7(2)8(13-3)5-6-9(10,11)12/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 2-ethoxy-6,6,6-trifluoro-N-methylhexan-3-amine?
2-ethoxy-6,6,6-trifluoro-N-methylhexan-3-amine has a molecular weight of 213.24 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6,6,6-trifluoro-N-methylhexan-3-amine is sourced from PubChem (CID 64566407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).