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

C12H24F3NO — CID 116759082

IUPAC5-ethoxy-N-ethyl-1,1,1-trifluoro-5-methylheptan-4-amine
SMILESCCNC(CCC(F)(F)F)C(C)(CC)OCC
InChIInChI=1S/C12H24F3NO/c1-5-11(4,17-7-3)10(16-6-2)8-9-12(13,14)15/h10,16H,5-9H2,1-4H3
InChIKeyPEWXXPKJMXLAHQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.51
Rot. Bonds8

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

5-ethoxy-N-ethyl-1,1,1-trifluoro-5-methylheptan-4-amine (PubChem CID 116759082) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-ethoxy-N-ethyl-1,1,1-trifluoro-5-methylheptan-4-amine.

Molecular Properties

Compound Name5-ethoxy-N-ethyl-1,1,1-trifluoro-5-methylheptan-4-amine
PubChem CID116759082
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name5-ethoxy-N-ethyl-1,1,1-trifluoro-5-methylheptan-4-amine
SMILESCCNC(CCC(F)(F)F)C(C)(CC)OCC
InChIInChI=1S/C12H24F3NO/c1-5-11(4,17-7-3)10(16-6-2)8-9-12(13,14)15/h10,16H,5-9H2,1-4H3
InChIKeyPEWXXPKJMXLAHQ-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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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Related Compounds

N-tert-butyl-2-(4,4-difluoro-5-methylhexoxy)-2-methylpropan-1-amine
CID 88973546
1,1,1,6,6,6-hexafluoro-N-(1-methoxypropan-2-yl)-3-methylhexan-3-amine
CID 117840547
2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine
CID 158575551
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 55036485
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 55036775
4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 55260683
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 61490525
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 61490529
N-ethyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61755094
N-propyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61757100

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-ethyl-1,1,1-trifluoro-5-methylheptan-4-amine?
The IUPAC name of 5-ethoxy-N-ethyl-1,1,1-trifluoro-5-methylheptan-4-amine (CID 116759082) is 5-ethoxy-N-ethyl-1,1,1-trifluoro-5-methylheptan-4-amine.
What is the SMILES notation for 5-ethoxy-N-ethyl-1,1,1-trifluoro-5-methylheptan-4-amine?
The canonical SMILES for 5-ethoxy-N-ethyl-1,1,1-trifluoro-5-methylheptan-4-amine is CCNC(CCC(F)(F)F)C(C)(CC)OCC.
What is the InChIKey of 5-ethoxy-N-ethyl-1,1,1-trifluoro-5-methylheptan-4-amine?
The InChIKey is PEWXXPKJMXLAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-5-11(4,17-7-3)10(16-6-2)8-9-12(13,14)15/h10,16H,5-9H2,1-4H3.
What are the key properties of 5-ethoxy-N-ethyl-1,1,1-trifluoro-5-methylheptan-4-amine?
5-ethoxy-N-ethyl-1,1,1-trifluoro-5-methylheptan-4-amine has a molecular weight of 255.32 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-ethyl-1,1,1-trifluoro-5-methylheptan-4-amine is sourced from PubChem (CID 116759082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).