2-[4-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine

C16H13F6NO2 — CID 163408376

IUPAC2-[4-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine
SMILESNCCOc1ccc(-c2cccc(OC(F)(F)F)c2)cc1C(F)(F)F
InChIInChI=1S/C16H13F6NO2/c17-15(18,19)13-9-11(4-5-14(13)24-7-6-23)10-2-1-3-12(8-10)25-16(20,21)22/h1-5,8-9H,6-7,23H2
InChIKeyNCPSQUOTEQFMML-UHFFFAOYSA-N
MW365.27 g/mol
LogP4.61
Rot. Bonds5

About 2-[4-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine

2-[4-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine (PubChem CID 163408376) has the molecular formula C16H13F6NO2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine
PubChem CID163408376
Molecular FormulaC16H13F6NO2
Molecular Weight365.27 g/mol
Exact Mass365.09
IUPAC Name2-[4-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine
SMILESNCCOc1ccc(-c2cccc(OC(F)(F)F)c2)cc1C(F)(F)F
InChIInChI=1S/C16H13F6NO2/c17-15(18,19)13-9-11(4-5-14(13)24-7-6-23)10-2-1-3-12(8-10)25-16(20,21)22/h1-5,8-9H,6-7,23H2
InChIKeyNCPSQUOTEQFMML-UHFFFAOYSA-N
XLogP4.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 163408359
2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
CID 134622401
[2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride
CID 171037282
1-(chloromethyl)-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 118811245
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 171365458
1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene
CID 118821679
5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 134628617
[3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine
CID 156612410
1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 155293542
2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol
CID 53221067
3-[2-tert-butyl-4-(trifluoromethoxy)phenoxy]propan-1-amine
CID 89492673

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine?
The IUPAC name of 2-[4-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine (CID 163408376) is 2-[4-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine.
What is the SMILES notation for 2-[4-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine?
The canonical SMILES for 2-[4-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine is NCCOc1ccc(-c2cccc(OC(F)(F)F)c2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine?
The InChIKey is NCPSQUOTEQFMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6NO2/c17-15(18,19)13-9-11(4-5-14(13)24-7-6-23)10-2-1-3-12(8-10)25-16(20,21)22/h1-5,8-9H,6-7,23H2.
What are the key properties of 2-[4-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine?
2-[4-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine has a molecular weight of 365.27 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine is sourced from PubChem (CID 163408376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).