4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline

C14H9F6NO2 — CID 87491792

IUPAC4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
SMILESFC(F)(F)Oc1ccc(Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H9F6NO2/c15-13(16,17)22-11-5-1-9(2-6-11)21-10-3-7-12(8-4-10)23-14(18,19)20/h1-8,21H
InChIKeyDDSPNAMXLXTAMG-UHFFFAOYSA-N
MW337.22 g/mol
LogP5.23
Rot. Bonds4

About 4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline

4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline (PubChem CID 87491792) has the molecular formula C14H9F6NO2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Name4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
PubChem CID87491792
Molecular FormulaC14H9F6NO2
Molecular Weight337.22 g/mol
Exact Mass337.05
IUPAC Name4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
SMILESFC(F)(F)Oc1ccc(Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H9F6NO2/c15-13(16,17)22-11-5-1-9(2-6-11)21-10-3-7-12(8-4-10)23-14(18,19)20/h1-8,21H
InChIKeyDDSPNAMXLXTAMG-UHFFFAOYSA-N
XLogP5.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.22
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-fluoro-4-(trifluoromethoxy)aniline
CID 142989818
[4-(trifluoromethoxy)anilino]azanium
CID 140653145
3-N-[4-(trifluoromethoxy)phenyl]benzene-1,3-diamine
CID 43245746
ethane;N-methyl-4-(trifluoromethoxy)aniline
CID 143206092
5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine
CID 104532253
2,6-diphenyl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 11531564
5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 116648818
N-(methylideneamino)-4-(trifluoromethoxy)aniline
CID 155060711
N-(2,2-dimethylpropyl)-4-(trifluoromethoxy)aniline
CID 20786173
N-prop-1-enyl-4-(trifluoromethoxy)aniline
CID 173173563
5-[4-(trifluoromethoxy)anilino]pyridine-2-carbothioamide
CID 115488112
5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 25093333

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of 4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline (CID 87491792) is 4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for 4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for 4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline is FC(F)(F)Oc1ccc(Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline?
The InChIKey is DDSPNAMXLXTAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO2/c15-13(16,17)22-11-5-1-9(2-6-11)21-10-3-7-12(8-4-10)23-14(18,19)20/h1-8,21H.
What are the key properties of 4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline?
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline has a molecular weight of 337.22 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 87491792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).