N-ethyl-1,1,1-trifluoro-6-methoxy-4-methyl-2-(trifluoromethyl)hexan-3-amine

C11H19F6NO — CID 103312319

IUPACN-ethyl-1,1,1-trifluoro-6-methoxy-4-methyl-2-(trifluoromethyl)hexan-3-amine
SMILESCCNC(C(C)CCOC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H19F6NO/c1-4-18-8(7(2)5-6-19-3)9(10(12,13)14)11(15,16)17/h7-9,18H,4-6H2,1-3H3
InChIKeyZFEKHUKEMAJFCL-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.38
Rot. Bonds7

About N-ethyl-1,1,1-trifluoro-6-methoxy-4-methyl-2-(trifluoromethyl)hexan-3-amine

N-ethyl-1,1,1-trifluoro-6-methoxy-4-methyl-2-(trifluoromethyl)hexan-3-amine (PubChem CID 103312319) has the molecular formula C11H19F6NO and a molecular weight of 295.27 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-6-methoxy-4-methyl-2-(trifluoromethyl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-6-methoxy-4-methyl-2-(trifluoromethyl)hexan-3-amine
PubChem CID103312319
Molecular FormulaC11H19F6NO
Molecular Weight295.27 g/mol
Exact Mass295.14
IUPAC NameN-ethyl-1,1,1-trifluoro-6-methoxy-4-methyl-2-(trifluoromethyl)hexan-3-amine
SMILESCCNC(C(C)CCOC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H19F6NO/c1-4-18-8(7(2)5-6-19-3)9(10(12,13)14)11(15,16)17/h7-9,18H,4-6H2,1-3H3
InChIKeyZFEKHUKEMAJFCL-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-5-methoxy-3-methylpentan-2-amine
CID 60995312
N-ethyl-6-methoxy-4-methylhexan-3-amine
CID 63561367
N-ethyl-1,6-dimethoxy-3,6-dimethylheptan-4-amine
CID 103029407
1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine
CID 105044294
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105185029
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044213
1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine
CID 103517156
N-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 105044327
(5-ethyl-1-methoxy-3-methylheptan-4-yl)hydrazine
CID 105337856
2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine
CID 105184925
1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044758
N-ethyl-3,5-dimethylheptan-4-amine
CID 79446924

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-6-methoxy-4-methyl-2-(trifluoromethyl)hexan-3-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-6-methoxy-4-methyl-2-(trifluoromethyl)hexan-3-amine (CID 103312319) is N-ethyl-1,1,1-trifluoro-6-methoxy-4-methyl-2-(trifluoromethyl)hexan-3-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-6-methoxy-4-methyl-2-(trifluoromethyl)hexan-3-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-6-methoxy-4-methyl-2-(trifluoromethyl)hexan-3-amine is CCNC(C(C)CCOC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-6-methoxy-4-methyl-2-(trifluoromethyl)hexan-3-amine?
The InChIKey is ZFEKHUKEMAJFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F6NO/c1-4-18-8(7(2)5-6-19-3)9(10(12,13)14)11(15,16)17/h7-9,18H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-6-methoxy-4-methyl-2-(trifluoromethyl)hexan-3-amine?
N-ethyl-1,1,1-trifluoro-6-methoxy-4-methyl-2-(trifluoromethyl)hexan-3-amine has a molecular weight of 295.27 g/mol, XLogP of 3.38, 7 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-6-methoxy-4-methyl-2-(trifluoromethyl)hexan-3-amine is sourced from PubChem (CID 103312319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).