2-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]phenyl]ethanamine

C16H13F6N — CID 134617058

IUPAC2-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]phenyl]ethanamine
SMILESNCCc1c(-c2cccc(C(F)(F)F)c2)cccc1C(F)(F)F
InChIInChI=1S/C16H13F6N/c17-15(18,19)11-4-1-3-10(9-11)12-5-2-6-14(16(20,21)22)13(12)7-8-23/h1-6,9H,7-8,23H2
InChIKeyQMZGQSFBOWNHGR-UHFFFAOYSA-N
MW333.28 g/mol
LogP4.89
Rot. Bonds3

About 2-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]phenyl]ethanamine

2-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]phenyl]ethanamine (PubChem CID 134617058) has the molecular formula C16H13F6N and a molecular weight of 333.28 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]phenyl]ethanamine
PubChem CID134617058
Molecular FormulaC16H13F6N
Molecular Weight333.28 g/mol
Exact Mass333.10
IUPAC Name2-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]phenyl]ethanamine
SMILESNCCc1c(-c2cccc(C(F)(F)F)c2)cccc1C(F)(F)F
InChIInChI=1S/C16H13F6N/c17-15(18,19)11-4-1-3-10(9-11)12-5-2-6-14(16(20,21)22)13(12)7-8-23/h1-6,9H,7-8,23H2
InChIKeyQMZGQSFBOWNHGR-UHFFFAOYSA-N
XLogP4.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 53403533
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029
1-fluoro-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzene
CID 134617566
2-[2-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 122476365
[2-[3-(trifluoromethyl)phenyl]phenyl]phosphane
CID 175247620
4-(chloromethyl)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 134617600
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
methyl 2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]benzoate
CID 134622903
1,2,3-trifluoro-4-[3-(trifluoromethyl)phenyl]benzene
CID 134617400
5-chloro-2-[3-(trifluoromethyl)phenyl]aniline
CID 79018103
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]phenyl]ethanamine?
The IUPAC name of 2-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]phenyl]ethanamine (CID 134617058) is 2-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]phenyl]ethanamine?
The canonical SMILES for 2-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]phenyl]ethanamine is NCCc1c(-c2cccc(C(F)(F)F)c2)cccc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]phenyl]ethanamine?
The InChIKey is QMZGQSFBOWNHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N/c17-15(18,19)11-4-1-3-10(9-11)12-5-2-6-14(16(20,21)22)13(12)7-8-23/h1-6,9H,7-8,23H2.
What are the key properties of 2-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]phenyl]ethanamine?
2-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]phenyl]ethanamine has a molecular weight of 333.28 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]phenyl]ethanamine is sourced from PubChem (CID 134617058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).