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

C12H24F3NO — CID 115516834

IUPAC2-ethoxy-7,7,7-trifluoro-N-propylheptan-3-amine
SMILESCCCNC(CCCC(F)(F)F)C(C)OCC
InChIInChI=1S/C12H24F3NO/c1-4-9-16-11(10(3)17-5-2)7-6-8-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyJIRUTFVKLVSQAQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.51
Rot. Bonds9

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

2-ethoxy-7,7,7-trifluoro-N-propylheptan-3-amine (PubChem CID 115516834) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-ethoxy-7,7,7-trifluoro-N-propylheptan-3-amine.

Molecular Properties

Compound Name2-ethoxy-7,7,7-trifluoro-N-propylheptan-3-amine
PubChem CID115516834
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name2-ethoxy-7,7,7-trifluoro-N-propylheptan-3-amine
SMILESCCCNC(CCCC(F)(F)F)C(C)OCC
InChIInChI=1S/C12H24F3NO/c1-4-9-16-11(10(3)17-5-2)7-6-8-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyJIRUTFVKLVSQAQ-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-7,7,7-trifluoro-N-propylheptan-3-amine?
The IUPAC name of 2-ethoxy-7,7,7-trifluoro-N-propylheptan-3-amine (CID 115516834) is 2-ethoxy-7,7,7-trifluoro-N-propylheptan-3-amine.
What is the SMILES notation for 2-ethoxy-7,7,7-trifluoro-N-propylheptan-3-amine?
The canonical SMILES for 2-ethoxy-7,7,7-trifluoro-N-propylheptan-3-amine is CCCNC(CCCC(F)(F)F)C(C)OCC.
What is the InChIKey of 2-ethoxy-7,7,7-trifluoro-N-propylheptan-3-amine?
The InChIKey is JIRUTFVKLVSQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-4-9-16-11(10(3)17-5-2)7-6-8-12(13,14)15/h10-11,16H,4-9H2,1-3H3.
What are the key properties of 2-ethoxy-7,7,7-trifluoro-N-propylheptan-3-amine?
2-ethoxy-7,7,7-trifluoro-N-propylheptan-3-amine has a molecular weight of 255.32 g/mol, XLogP of 3.51, 9 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-propylheptan-3-amine is sourced from PubChem (CID 115516834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).