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

C16H14ClF6NO2 — CID 163408359

IUPAC2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
SMILESCl.NCCOc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(F)(F)F
InChIInChI=1S/C16H13F6NO2.ClH/c17-15(18,19)13-9-11(3-6-14(13)24-8-7-23)10-1-4-12(5-2-10)25-16(20,21)22;/h1-6,9H,7-8,23H2;1H
InChIKeyOLYOZLAUFDQEEN-UHFFFAOYSA-N
MW401.73 g/mol
LogP5.03
Rot. Bonds5

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

2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride (PubChem CID 163408359) has the molecular formula C16H14ClF6NO2 and a molecular weight of 401.73 g/mol. Its IUPAC name is 2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
PubChem CID163408359
Molecular FormulaC16H14ClF6NO2
Molecular Weight401.73 g/mol
Exact Mass401.06
IUPAC Name2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
SMILESCl.NCCOc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(F)(F)F
InChIInChI=1S/C16H13F6NO2.ClH/c17-15(18,19)13-9-11(3-6-14(13)24-8-7-23)10-1-4-12(5-2-10)25-16(20,21)22;/h1-6,9H,7-8,23H2;1H
InChIKeyOLYOZLAUFDQEEN-UHFFFAOYSA-N
XLogP5.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.73
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine
CID 163408376
2-propoxy-5-[4-(trifluoromethoxy)phenyl]aniline
CID 59820872
2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845597
1-octoxy-4-(4-octoxyphenyl)-2-(trifluoromethyl)benzene
CID 139992979
3-[2-tert-butyl-4-(trifluoromethoxy)phenoxy]propan-1-amine
CID 89492673
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde
CID 134627713
5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 118991248
2-(4-phenylbutoxy)-5-[4-(trifluoromethoxy)phenyl]aniline
CID 58007705
2-fluoro-4-[4-[9-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenoxy]nonoxy]phenyl]-1-(trifluoromethoxy)benzene
CID 118245658
2-hexoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 58008111
2-[4-chloro-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 168679987
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride
CID 118845542

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
The IUPAC name of 2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride (CID 163408359) is 2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride is Cl.NCCOc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
The InChIKey is OLYOZLAUFDQEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6NO2.ClH/c17-15(18,19)13-9-11(3-6-14(13)24-8-7-23)10-1-4-12(5-2-10)25-16(20,21)22;/h1-6,9H,7-8,23H2;1H.
What are the key properties of 2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride?
2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride has a molecular weight of 401.73 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine;hydrochloride is sourced from PubChem (CID 163408359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).