4-(phenoxy)-3-(trifluoromethyl)aniline;3-(trifluoromethyl)benzene-4-id-1-amine;uranium(2+)

C20H14F6N2OU — CID 162520552

IUPAC4-(phenoxy)-3-(trifluoromethyl)aniline;3-(trifluoromethyl)benzene-4-id-1-amine;uranium(2+)
SMILESNc1cc[c-]c(C(F)(F)F)c1.Nc1ccc(Oc2cc[c-]cc2)c(C(F)(F)F)c1.[U+2]
InChIInChI=1S/C13H9F3NO.C7H5F3N.U/c14-13(15,16)11-8-9(17)6-7-12(11)18-10-4-2-1-3-5-10;8-7(9,10)5-2-1-3-6(11)4-5;/h2-8H,17H2;1,3-4H,11H2;/q2*-1;+2
InChIKeyZVRCDVPVUQLEQT-UHFFFAOYSA-N
MW650.36 g/mol
LogP5.97
Rot. Bonds2

About 4-(phenoxy)-3-(trifluoromethyl)aniline;3-(trifluoromethyl)benzene-4-id-1-amine;uranium(2+)

4-(phenoxy)-3-(trifluoromethyl)aniline;3-(trifluoromethyl)benzene-4-id-1-amine;uranium(2+) (PubChem CID 162520552) has the molecular formula C20H14F6N2OU and a molecular weight of 650.36 g/mol. Its IUPAC name is 4-(phenoxy)-3-(trifluoromethyl)aniline;3-(trifluoromethyl)benzene-4-id-1-amine;uranium(2+).

Molecular Properties

Compound Name4-(phenoxy)-3-(trifluoromethyl)aniline;3-(trifluoromethyl)benzene-4-id-1-amine;uranium(2+)
PubChem CID162520552
Molecular FormulaC20H14F6N2OU
Molecular Weight650.36 g/mol
Exact Mass650.15
IUPAC Name4-(phenoxy)-3-(trifluoromethyl)aniline;3-(trifluoromethyl)benzene-4-id-1-amine;uranium(2+)
SMILESNc1cc[c-]c(C(F)(F)F)c1.Nc1ccc(Oc2cc[c-]cc2)c(C(F)(F)F)c1.[U+2]
InChIInChI=1S/C13H9F3NO.C7H5F3N.U/c14-13(15,16)11-8-9(17)6-7-12(11)18-10-4-2-1-3-5-10;8-7(9,10)5-2-1-3-6(11)4-5;/h2-8H,17H2;1,3-4H,11H2;/q2*-1;+2
InChIKeyZVRCDVPVUQLEQT-UHFFFAOYSA-N
XLogP5.97
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.36
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline
CID 19805070
4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline;hydrochloride
CID 22906581
bis[4-[3,5-bis[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]phenyl]methanone
CID 141458746
4-(4-cyclohexylphenoxy)-3-(trifluoromethyl)aniline
CID 671283
4-[4-bromo-2-(trifluoromethyl)phenoxy]aniline
CID 65483620
4-[2-[2-[4-amino-2-(trifluoromethyl)phenoxy]-N-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]anilino]phenoxy]-3-(trifluoromethyl)aniline
CID 90293468
9H-fluorene-2,7-diamine;4-phenoxy-3-(trifluoromethyl)aniline
CID 175585193
4-[2-chloro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)aniline
CID 87205815
4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]-3-(trifluoromethyl)aniline
CID 54530043
4-[2-[2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline
CID 18793542
4-(2-iodophenoxy)-3-(trifluoromethyl)aniline
CID 55191480
4-[2-[4-amino-2-(trifluoromethyl)phenoxy]-4-tert-butylphenoxy]-3-(trifluoromethyl)aniline
CID 102252770

Frequently Asked Questions

What is the IUPAC name of 4-(phenoxy)-3-(trifluoromethyl)aniline;3-(trifluoromethyl)benzene-4-id-1-amine;uranium(2+)?
The IUPAC name of 4-(phenoxy)-3-(trifluoromethyl)aniline;3-(trifluoromethyl)benzene-4-id-1-amine;uranium(2+) (CID 162520552) is 4-(phenoxy)-3-(trifluoromethyl)aniline;3-(trifluoromethyl)benzene-4-id-1-amine;uranium(2+).
What is the SMILES notation for 4-(phenoxy)-3-(trifluoromethyl)aniline;3-(trifluoromethyl)benzene-4-id-1-amine;uranium(2+)?
The canonical SMILES for 4-(phenoxy)-3-(trifluoromethyl)aniline;3-(trifluoromethyl)benzene-4-id-1-amine;uranium(2+) is Nc1cc[c-]c(C(F)(F)F)c1.Nc1ccc(Oc2cc[c-]cc2)c(C(F)(F)F)c1.[U+2].
What is the InChIKey of 4-(phenoxy)-3-(trifluoromethyl)aniline;3-(trifluoromethyl)benzene-4-id-1-amine;uranium(2+)?
The InChIKey is ZVRCDVPVUQLEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3NO.C7H5F3N.U/c14-13(15,16)11-8-9(17)6-7-12(11)18-10-4-2-1-3-5-10;8-7(9,10)5-2-1-3-6(11)4-5;/h2-8H,17H2;1,3-4H,11H2;/q2*-1;+2.
What are the key properties of 4-(phenoxy)-3-(trifluoromethyl)aniline;3-(trifluoromethyl)benzene-4-id-1-amine;uranium(2+)?
4-(phenoxy)-3-(trifluoromethyl)aniline;3-(trifluoromethyl)benzene-4-id-1-amine;uranium(2+) has a molecular weight of 650.36 g/mol, XLogP of 5.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenoxy)-3-(trifluoromethyl)aniline;3-(trifluoromethyl)benzene-4-id-1-amine;uranium(2+) is sourced from PubChem (CID 162520552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).