[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine

C15H11F6NO2 — CID 171365458

IUPAC[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
SMILESNCc1cc(OC(F)(F)F)cc(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C15H11F6NO2/c16-14(17,18)23-12-3-1-2-10(6-12)11-4-9(8-22)5-13(7-11)24-15(19,20)21/h1-7H,8,22H2
InChIKeyWHAKJWFGCGHJKM-UHFFFAOYSA-N
MW351.25 g/mol
LogP4.61
Rot. Bonds4

About [3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine

[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine (PubChem CID 171365458) has the molecular formula C15H11F6NO2 and a molecular weight of 351.25 g/mol. Its IUPAC name is [3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
PubChem CID171365458
Molecular FormulaC15H11F6NO2
Molecular Weight351.25 g/mol
Exact Mass351.07
IUPAC Name[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
SMILESNCc1cc(OC(F)(F)F)cc(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C15H11F6NO2/c16-14(17,18)23-12-3-1-2-10(6-12)11-4-9(8-22)5-13(7-11)24-15(19,20)21/h1-7H,8,22H2
InChIKeyWHAKJWFGCGHJKM-UHFFFAOYSA-N
XLogP4.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine
CID 156612410
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
1-(2,2-dimethylpropyl)-3-[3-(trifluoromethoxy)phenyl]benzene
CID 122487160
[3-(3-methylphenyl)-5-(trifluoromethoxy)phenyl]methanol
CID 156591988
[3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine
CID 156612409
methanidyl-[[3-(trifluoromethoxy)phenyl]methyl]azanium
CID 20723524
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
[2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride
CID 171037282
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
3-(aminomethyl)-5-(trifluoromethoxy)phenol;hydrochloride
CID 171365357
3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol
CID 53221920

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine?
The IUPAC name of [3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine (CID 171365458) is [3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine.
What is the SMILES notation for [3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine?
The canonical SMILES for [3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine is NCc1cc(OC(F)(F)F)cc(-c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of [3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine?
The InChIKey is WHAKJWFGCGHJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6NO2/c16-14(17,18)23-12-3-1-2-10(6-12)11-4-9(8-22)5-13(7-11)24-15(19,20)21/h1-7H,8,22H2.
What are the key properties of [3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine?
[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine has a molecular weight of 351.25 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine is sourced from PubChem (CID 171365458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).