5-ethoxy-1,1,1-trifluoro-N,5-dimethylheptan-4-amine

C11H22F3NO — CID 116758803

IUPAC5-ethoxy-1,1,1-trifluoro-N,5-dimethylheptan-4-amine
SMILESCCOC(C)(CC)C(CCC(F)(F)F)NC
InChIInChI=1S/C11H22F3NO/c1-5-10(3,16-6-2)9(15-4)7-8-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeySGJHDMCLMZFOLI-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds7

About 5-ethoxy-1,1,1-trifluoro-N,5-dimethylheptan-4-amine

5-ethoxy-1,1,1-trifluoro-N,5-dimethylheptan-4-amine (PubChem CID 116758803) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 5-ethoxy-1,1,1-trifluoro-N,5-dimethylheptan-4-amine.

Molecular Properties

Compound Name5-ethoxy-1,1,1-trifluoro-N,5-dimethylheptan-4-amine
PubChem CID116758803
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name5-ethoxy-1,1,1-trifluoro-N,5-dimethylheptan-4-amine
SMILESCCOC(C)(CC)C(CCC(F)(F)F)NC
InChIInChI=1S/C11H22F3NO/c1-5-10(3,16-6-2)9(15-4)7-8-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeySGJHDMCLMZFOLI-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine
CID 158575551
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
N-ethyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61755094
N-propyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61757100
N-methyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61757312
N-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 62110251
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62110412
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 62110413
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62110414

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,1,1-trifluoro-N,5-dimethylheptan-4-amine?
The IUPAC name of 5-ethoxy-1,1,1-trifluoro-N,5-dimethylheptan-4-amine (CID 116758803) is 5-ethoxy-1,1,1-trifluoro-N,5-dimethylheptan-4-amine.
What is the SMILES notation for 5-ethoxy-1,1,1-trifluoro-N,5-dimethylheptan-4-amine?
The canonical SMILES for 5-ethoxy-1,1,1-trifluoro-N,5-dimethylheptan-4-amine is CCOC(C)(CC)C(CCC(F)(F)F)NC.
What is the InChIKey of 5-ethoxy-1,1,1-trifluoro-N,5-dimethylheptan-4-amine?
The InChIKey is SGJHDMCLMZFOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-5-10(3,16-6-2)9(15-4)7-8-11(12,13)14/h9,15H,5-8H2,1-4H3.
What are the key properties of 5-ethoxy-1,1,1-trifluoro-N,5-dimethylheptan-4-amine?
5-ethoxy-1,1,1-trifluoro-N,5-dimethylheptan-4-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 7 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-N,5-dimethylheptan-4-amine is sourced from PubChem (CID 116758803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).