3-[4-(trifluoromethoxy)anilino]prop-2-enylidene-[4-(trifluoromethoxy)phenyl]azanium

C17H13F6N2O2+ — CID 6836738

IUPAC3-[4-(trifluoromethoxy)anilino]prop-2-enylidene-[4-(trifluoromethoxy)phenyl]azanium
SMILESFC(F)(F)Oc1ccc(NC=C/C=[NH+]/c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C17H12F6N2O2/c18-16(19,20)26-14-6-2-12(3-7-14)24-10-1-11-25-13-4-8-15(9-5-13)27-17(21,22)23/h1-11,24H/p+1/b10-1?,25-11+
InChIKeyHPOQGNPHUPVIGH-CENQWIDISA-O
MW391.29 g/mol
LogP3.89
Rot. Bonds6

About 3-[4-(trifluoromethoxy)anilino]prop-2-enylidene-[4-(trifluoromethoxy)phenyl]azanium

3-[4-(trifluoromethoxy)anilino]prop-2-enylidene-[4-(trifluoromethoxy)phenyl]azanium (PubChem CID 6836738) has the molecular formula C17H13F6N2O2+ and a molecular weight of 391.29 g/mol. Its IUPAC name is 3-[4-(trifluoromethoxy)anilino]prop-2-enylidene-[4-(trifluoromethoxy)phenyl]azanium.

Molecular Properties

Compound Name3-[4-(trifluoromethoxy)anilino]prop-2-enylidene-[4-(trifluoromethoxy)phenyl]azanium
PubChem CID6836738
Molecular FormulaC17H13F6N2O2+
Molecular Weight391.29 g/mol
Exact Mass391.09
IUPAC Name3-[4-(trifluoromethoxy)anilino]prop-2-enylidene-[4-(trifluoromethoxy)phenyl]azanium
SMILESFC(F)(F)Oc1ccc(NC=C/C=[NH+]/c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C17H12F6N2O2/c18-16(19,20)26-14-6-2-12(3-7-14)24-10-1-11-25-13-4-8-15(9-5-13)27-17(21,22)23/h1-11,24H/p+1/b10-1?,25-11+
InChIKeyHPOQGNPHUPVIGH-CENQWIDISA-O
XLogP3.89
TPSA44.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-prop-1-enyl-4-(trifluoromethoxy)aniline
CID 173173563
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
ethane;N-methyl-4-(trifluoromethoxy)aniline
CID 143206092
N-fluoro-4-(trifluoromethoxy)aniline
CID 142989818
[4-(trifluoromethoxy)anilino]azanium
CID 140653145
N-(methylideneamino)-4-(trifluoromethoxy)aniline
CID 155060711
1-(4-ethylphenyl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
CID 630587
1-(4-phenylphenyl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
CID 4693388
(E)-1-(3,4-dimethylphenyl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
CID 51045927
N-[1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 43193128
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
1-amino-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 2732842

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethoxy)anilino]prop-2-enylidene-[4-(trifluoromethoxy)phenyl]azanium?
The IUPAC name of 3-[4-(trifluoromethoxy)anilino]prop-2-enylidene-[4-(trifluoromethoxy)phenyl]azanium (CID 6836738) is 3-[4-(trifluoromethoxy)anilino]prop-2-enylidene-[4-(trifluoromethoxy)phenyl]azanium.
What is the SMILES notation for 3-[4-(trifluoromethoxy)anilino]prop-2-enylidene-[4-(trifluoromethoxy)phenyl]azanium?
The canonical SMILES for 3-[4-(trifluoromethoxy)anilino]prop-2-enylidene-[4-(trifluoromethoxy)phenyl]azanium is FC(F)(F)Oc1ccc(NC=C/C=[NH+]/c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 3-[4-(trifluoromethoxy)anilino]prop-2-enylidene-[4-(trifluoromethoxy)phenyl]azanium?
The InChIKey is HPOQGNPHUPVIGH-CENQWIDISA-O. The full InChI is InChI=1S/C17H12F6N2O2/c18-16(19,20)26-14-6-2-12(3-7-14)24-10-1-11-25-13-4-8-15(9-5-13)27-17(21,22)23/h1-11,24H/p+1/b10-1?,25-11+.
What are the key properties of 3-[4-(trifluoromethoxy)anilino]prop-2-enylidene-[4-(trifluoromethoxy)phenyl]azanium?
3-[4-(trifluoromethoxy)anilino]prop-2-enylidene-[4-(trifluoromethoxy)phenyl]azanium has a molecular weight of 391.29 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethoxy)anilino]prop-2-enylidene-[4-(trifluoromethoxy)phenyl]azanium is sourced from PubChem (CID 6836738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).