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

C15H11F6NO — CID 156612410

IUPAC[3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(-c2cccc(OC(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H11F6NO/c16-14(17,18)12-5-9(8-22)4-11(6-12)10-2-1-3-13(7-10)23-15(19,20)21/h1-7H,8,22H2
InChIKeySUJODZRBGMSBIL-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.73
Rot. Bonds3

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

[3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 156612410) has the molecular formula C15H11F6NO and a molecular weight of 335.25 g/mol. Its IUPAC name is [3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine
PubChem CID156612410
Molecular FormulaC15H11F6NO
Molecular Weight335.25 g/mol
Exact Mass335.07
IUPAC Name[3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(-c2cccc(OC(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H11F6NO/c16-14(17,18)12-5-9(8-22)4-11(6-12)10-2-1-3-13(7-10)23-15(19,20)21/h1-7H,8,22H2
InChIKeySUJODZRBGMSBIL-UHFFFAOYSA-N
XLogP4.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 171365458
[3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine
CID 156612409
1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene
CID 169072366
1-ethynyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene
CID 166611458
[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine
CID 129154957
[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
CID 166611051
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]methanamine
CID 156612413
1-(2,2-dimethylpropyl)-3-[3-(trifluoromethoxy)phenyl]benzene
CID 122487160
[3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine
CID 156612416
2-[2-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]ethanamine
CID 134622608
3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 71678762

Frequently Asked Questions

What is the IUPAC name of [3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine (CID 156612410) is [3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine is NCc1cc(-c2cccc(OC(F)(F)F)c2)cc(C(F)(F)F)c1.
What is the InChIKey of [3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is SUJODZRBGMSBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6NO/c16-14(17,18)12-5-9(8-22)4-11(6-12)10-2-1-3-13(7-10)23-15(19,20)21/h1-7H,8,22H2.
What are the key properties of [3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine?
[3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 335.25 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 156612410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).