3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine

C15H30F3NO — CID 116726022

IUPAC3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine
SMILESCCCNC(CCCC(F)(F)F)C(OCC)C(C)(C)C
InChIInChI=1S/C15H30F3NO/c1-6-11-19-12(9-8-10-15(16,17)18)13(20-7-2)14(3,4)5/h12-13,19H,6-11H2,1-5H3
InChIKeyQHCAOHLJSQHXRB-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.54
Rot. Bonds9

About 3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine

3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine (PubChem CID 116726022) has the molecular formula C15H30F3NO and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine.

Molecular Properties

Compound Name3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine
PubChem CID116726022
Molecular FormulaC15H30F3NO
Molecular Weight297.40 g/mol
Exact Mass297.23
IUPAC Name3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine
SMILESCCCNC(CCCC(F)(F)F)C(OCC)C(C)(C)C
InChIInChI=1S/C15H30F3NO/c1-6-11-19-12(9-8-10-15(16,17)18)13(20-7-2)14(3,4)5/h12-13,19H,6-11H2,1-5H3
InChIKeyQHCAOHLJSQHXRB-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Tert-butyl-5-(trifluoromethoxy)piperidine
CID 155003843
2-Tert-butyl-3-fluoro-5-methoxypiperidine
CID 164775357
2-Tert-butyl-5-(difluoromethoxy)piperidine
CID 176832733
2-Tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine
CID 176833257
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
N-ethyl-4-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61755493
N-ethyl-2-(2,2,2-trifluoroethoxy)cyclooctan-1-amine
CID 61756098
4-tert-butyl-N-ethyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61756303
N-propyl-2-(2,2,2-trifluoroethoxy)cyclooctan-1-amine
CID 61756906
4-tert-butyl-N-propyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 61757104
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 62110413
N-ethyl-2-(2,2,2-trifluoroethoxy)cyclododecan-1-amine
CID 63474497

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine?
The IUPAC name of 3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine (CID 116726022) is 3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine.
What is the SMILES notation for 3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine?
The canonical SMILES for 3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine is CCCNC(CCCC(F)(F)F)C(OCC)C(C)(C)C.
What is the InChIKey of 3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine?
The InChIKey is QHCAOHLJSQHXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3NO/c1-6-11-19-12(9-8-10-15(16,17)18)13(20-7-2)14(3,4)5/h12-13,19H,6-11H2,1-5H3.
What are the key properties of 3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine?
3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine has a molecular weight of 297.40 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine is sourced from PubChem (CID 116726022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).