1,1,1-trifluoro-7-methoxy-N,7-dimethyloctan-4-amine

C11H22F3NO — CID 103032392

IUPAC1,1,1-trifluoro-7-methoxy-N,7-dimethyloctan-4-amine
SMILESCNC(CCC(F)(F)F)CCC(C)(C)OC
InChIInChI=1S/C11H22F3NO/c1-10(2,16-4)7-5-9(15-3)6-8-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyNMYXZBVYFGPZPJ-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds7

About 1,1,1-trifluoro-7-methoxy-N,7-dimethyloctan-4-amine

1,1,1-trifluoro-7-methoxy-N,7-dimethyloctan-4-amine (PubChem CID 103032392) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-7-methoxy-N,7-dimethyloctan-4-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-7-methoxy-N,7-dimethyloctan-4-amine
PubChem CID103032392
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name1,1,1-trifluoro-7-methoxy-N,7-dimethyloctan-4-amine
SMILESCNC(CCC(F)(F)F)CCC(C)(C)OC
InChIInChI=1S/C11H22F3NO/c1-10(2,16-4)7-5-9(15-3)6-8-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyNMYXZBVYFGPZPJ-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

N,7-dimethyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
CID 55095372
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61749685
1-cyclopropyl-N-methyl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 64495877
N-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64496915
N,2,2-trimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64496974
2-methyl-N-propyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64498171
N-ethyl-2,2-dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64498838
N,2-dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64499080
2,2-dimethyl-N-propyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64499280
N,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 78991219
6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 78991220
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 78991221

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-7-methoxy-N,7-dimethyloctan-4-amine?
The IUPAC name of 1,1,1-trifluoro-7-methoxy-N,7-dimethyloctan-4-amine (CID 103032392) is 1,1,1-trifluoro-7-methoxy-N,7-dimethyloctan-4-amine.
What is the SMILES notation for 1,1,1-trifluoro-7-methoxy-N,7-dimethyloctan-4-amine?
The canonical SMILES for 1,1,1-trifluoro-7-methoxy-N,7-dimethyloctan-4-amine is CNC(CCC(F)(F)F)CCC(C)(C)OC.
What is the InChIKey of 1,1,1-trifluoro-7-methoxy-N,7-dimethyloctan-4-amine?
The InChIKey is NMYXZBVYFGPZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-10(2,16-4)7-5-9(15-3)6-8-11(12,13)14/h9,15H,5-8H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-7-methoxy-N,7-dimethyloctan-4-amine?
1,1,1-trifluoro-7-methoxy-N,7-dimethyloctan-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 1,1,1-trifluoro-7-methoxy-N,7-dimethyloctan-4-amine is sourced from PubChem (CID 103032392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).