4-[4-amino-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)aniline;hydrochloride

C14H11ClF6N2O2 — CID 176908298

IUPAC4-[4-amino-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)aniline;hydrochloride
SMILESCl.Nc1ccc(-c2ccc(N)cc2OC(F)(F)F)c(OC(F)(F)F)c1
InChIInChI=1S/C14H10F6N2O2.ClH/c15-13(16,17)23-11-5-7(21)1-3-9(11)10-4-2-8(22)6-12(10)24-14(18,19)20;/h1-6H,21-22H2;1H
InChIKeyJDDZLHYTPMNRLC-UHFFFAOYSA-N
MW388.70 g/mol
LogP4.74
Rot. Bonds3

About 4-[4-amino-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)aniline;hydrochloride

4-[4-amino-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)aniline;hydrochloride (PubChem CID 176908298) has the molecular formula C14H11ClF6N2O2 and a molecular weight of 388.70 g/mol. Its IUPAC name is 4-[4-amino-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)aniline;hydrochloride.

Molecular Properties

Compound Name4-[4-amino-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)aniline;hydrochloride
PubChem CID176908298
Molecular FormulaC14H11ClF6N2O2
Molecular Weight388.70 g/mol
Exact Mass388.04
IUPAC Name4-[4-amino-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)aniline;hydrochloride
SMILESCl.Nc1ccc(-c2ccc(N)cc2OC(F)(F)F)c(OC(F)(F)F)c1
InChIInChI=1S/C14H10F6N2O2.ClH/c15-13(16,17)23-11-5-7(21)1-3-9(11)10-4-2-8(22)6-12(10)24-14(18,19)20;/h1-6H,21-22H2;1H
InChIKeyJDDZLHYTPMNRLC-UHFFFAOYSA-N
XLogP4.74
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.70
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[5-[4-amino-2-(trifluoromethoxy)phenyl]naphthalen-1-yl]-3-(trifluoromethoxy)aniline
CID 146374167
4-[4-amino-2-(1,1,2,2,3,3,3-heptafluoropropoxy)phenyl]-3-(1,1,2,2,3,3,3-heptafluoropropoxy)aniline
CID 87342938
4-bromo-3-(trifluoromethoxy)aniline
CID 14129198
4-[4-amino-2-[1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethoxy]phenyl]-3-[1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethoxy]aniline
CID 87532325
4-fluoro-3-[2-(trifluoromethoxy)phenyl]aniline
CID 112694311
[4-amino-2-(trifluoromethoxy)phenyl]methanol
CID 118822833
4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol
CID 139790493
4-prop-2-enoxy-3-(trifluoromethoxy)aniline
CID 68685743
3-pyridin-4-yl-4-(trifluoromethoxy)aniline
CID 46317009
methyl 5-amino-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 168665377
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
3-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912465

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)aniline;hydrochloride?
The IUPAC name of 4-[4-amino-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)aniline;hydrochloride (CID 176908298) is 4-[4-amino-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)aniline;hydrochloride.
What is the SMILES notation for 4-[4-amino-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)aniline;hydrochloride?
The canonical SMILES for 4-[4-amino-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)aniline;hydrochloride is Cl.Nc1ccc(-c2ccc(N)cc2OC(F)(F)F)c(OC(F)(F)F)c1.
What is the InChIKey of 4-[4-amino-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)aniline;hydrochloride?
The InChIKey is JDDZLHYTPMNRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6N2O2.ClH/c15-13(16,17)23-11-5-7(21)1-3-9(11)10-4-2-8(22)6-12(10)24-14(18,19)20;/h1-6H,21-22H2;1H.
What are the key properties of 4-[4-amino-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)aniline;hydrochloride?
4-[4-amino-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)aniline;hydrochloride has a molecular weight of 388.70 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)aniline;hydrochloride is sourced from PubChem (CID 176908298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).