1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

C11H12F5NO — CID 103215329

IUPAC1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1c(F)cccc1F
InChIInChI=1S/C11H12F5NO/c1-17-9(5-18-6-11(14,15)16)10-7(12)3-2-4-8(10)13/h2-4,9,17H,5-6H2,1H3
InChIKeyWLPUHGVXWDYQBT-UHFFFAOYSA-N
MW269.21 g/mol
LogP2.80
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215329) has the molecular formula C11H12F5NO and a molecular weight of 269.21 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215329
Molecular FormulaC11H12F5NO
Molecular Weight269.21 g/mol
Exact Mass269.08
IUPAC Name1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1c(F)cccc1F
InChIInChI=1S/C11H12F5NO/c1-17-9(5-18-6-11(14,15)16)10-7(12)3-2-4-8(10)13/h2-4,9,17H,5-6H2,1H3
InChIKeyWLPUHGVXWDYQBT-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluoro-4-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103746481
1-(2,4-difluoro-5-methylphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207699
1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207255
1-(1-benzothiophen-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215996
N-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207180
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216476
1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207983
1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148227
N-methyl-1-(6-methyl-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215250
N-ethyl-2-(2,2,2-trifluoroethoxy)-1-(2,3,4-trifluorophenyl)ethanamine
CID 103215253
N-methyl-1-quinolin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214652
1-(3-fluorophenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475476

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215329) is 1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is WLPUHGVXWDYQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5NO/c1-17-9(5-18-6-11(14,15)16)10-7(12)3-2-4-8(10)13/h2-4,9,17H,5-6H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 269.21 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).