N-ethyl-1,1,1-trifluoro-7-methoxy-7-methyloctan-4-amine

C12H24F3NO — CID 103031882

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

About N-ethyl-1,1,1-trifluoro-7-methoxy-7-methyloctan-4-amine

N-ethyl-1,1,1-trifluoro-7-methoxy-7-methyloctan-4-amine (PubChem CID 103031882) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-7-methoxy-7-methyloctan-4-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-7-methoxy-7-methyloctan-4-amine
PubChem CID103031882
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC NameN-ethyl-1,1,1-trifluoro-7-methoxy-7-methyloctan-4-amine
SMILESCCNC(CCC(F)(F)F)CCC(C)(C)OC
InChIInChI=1S/C12H24F3NO/c1-5-16-10(7-9-12(13,14)15)6-8-11(2,3)17-4/h10,16H,5-9H2,1-4H3
InChIKeyBWKNIWYSMVZHPU-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-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
N,7-dimethyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
CID 55095372
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095373
6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095421
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine
CID 55106739
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61748692
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61749886
4-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine
CID 64124357
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine
CID 64125774
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
1-cyclopropyl-N-ethyl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 64497185

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-7-methoxy-7-methyloctan-4-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-7-methoxy-7-methyloctan-4-amine (CID 103031882) is N-ethyl-1,1,1-trifluoro-7-methoxy-7-methyloctan-4-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-7-methoxy-7-methyloctan-4-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-7-methoxy-7-methyloctan-4-amine is CCNC(CCC(F)(F)F)CCC(C)(C)OC.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-7-methoxy-7-methyloctan-4-amine?
The InChIKey is BWKNIWYSMVZHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-5-16-10(7-9-12(13,14)15)6-8-11(2,3)17-4/h10,16H,5-9H2,1-4H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-7-methoxy-7-methyloctan-4-amine?
N-ethyl-1,1,1-trifluoro-7-methoxy-7-methyloctan-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 N-ethyl-1,1,1-trifluoro-7-methoxy-7-methyloctan-4-amine is sourced from PubChem (CID 103031882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).