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

C16H13F6NO — CID 134622608

IUPAC2-[2-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]ethanamine
SMILESNCCc1ccc(C(F)(F)F)cc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H13F6NO/c17-15(18,19)12-5-4-10(6-7-23)14(9-12)11-2-1-3-13(8-11)24-16(20,21)22/h1-5,8-9H,6-7,23H2
InChIKeyVSHSMNZLLXTNLT-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.77
Rot. Bonds4

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

2-[2-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 134622608) has the molecular formula C16H13F6NO and a molecular weight of 349.27 g/mol. Its IUPAC name is 2-[2-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]ethanamine
PubChem CID134622608
Molecular FormulaC16H13F6NO
Molecular Weight349.27 g/mol
Exact Mass349.09
IUPAC Name2-[2-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]ethanamine
SMILESNCCc1ccc(C(F)(F)F)cc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H13F6NO/c17-15(18,19)12-5-4-10(6-7-23)14(9-12)11-2-1-3-13(8-11)24-16(20,21)22/h1-5,8-9H,6-7,23H2
InChIKeyVSHSMNZLLXTNLT-UHFFFAOYSA-N
XLogP4.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 164888223
2-[2-chloro-3-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 119009643
1-nitro-2-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 134621037
4-tert-butyl-1-fluoro-2-[3-(trifluoromethoxy)phenyl]benzene
CID 58049422
[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]methanol
CID 118846484
[3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine
CID 156612410
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
3-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 134624116
2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 172650218
2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
CID 83410120
1-(chloromethyl)-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 118811245

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-[2-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]ethanamine (CID 134622608) is 2-[2-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-[2-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]ethanamine is NCCc1ccc(C(F)(F)F)cc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-[2-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is VSHSMNZLLXTNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6NO/c17-15(18,19)12-5-4-10(6-7-23)14(9-12)11-2-1-3-13(8-11)24-16(20,21)22/h1-5,8-9H,6-7,23H2.
What are the key properties of 2-[2-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]ethanamine?
2-[2-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 349.27 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 134622608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).