2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline

C14H9F6NO2 — CID 87491554

IUPAC2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
SMILESFC(F)(F)Oc1ccccc1Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H9F6NO2/c15-13(16,17)22-11-7-3-1-5-9(11)21-10-6-2-4-8-12(10)23-14(18,19)20/h1-8,21H
InChIKeyMLAKLWVIVHJBNP-UHFFFAOYSA-N
MW337.22 g/mol
LogP5.23
Rot. Bonds4

About 2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline

2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline (PubChem CID 87491554) has the molecular formula C14H9F6NO2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Name2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
PubChem CID87491554
Molecular FormulaC14H9F6NO2
Molecular Weight337.22 g/mol
Exact Mass337.05
IUPAC Name2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
SMILESFC(F)(F)Oc1ccccc1Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H9F6NO2/c15-13(16,17)22-11-7-3-1-5-9(11)21-10-6-2-4-8-12(10)23-14(18,19)20/h1-8,21H
InChIKeyMLAKLWVIVHJBNP-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-iodo-2-(trifluoromethoxy)aniline
CID 145093219
4-[2-(trifluoromethoxy)anilino]benzoic acid
CID 62232189
1-(trifluoromethoxy)-2-[2-[2-(trifluoromethoxy)anilino]hydrazinyl]benzene;hydrochloride
CID 87629751
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile
CID 63511232
3-bromo-4-[2-(trifluoromethoxy)anilino]benzonitrile
CID 82785825
N-[2-(trifluoromethoxy)phenyl]nitramide
CID 70612792
6-chloro-4-N-methyl-2-N-[2-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 80768863
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
2-N,6-dimethyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80768669
N-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrazin-2-amine
CID 162221534

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of 2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline (CID 87491554) is 2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for 2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for 2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline is FC(F)(F)Oc1ccccc1Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline?
The InChIKey is MLAKLWVIVHJBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO2/c15-13(16,17)22-11-7-3-1-5-9(11)21-10-6-2-4-8-12(10)23-14(18,19)20/h1-8,21H.
What are the key properties of 2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline?
2-(trifluoromethoxy)-N-[2-(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 2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 87491554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).