(Z)-1,1,1,5,5,5-hexafluoro-4-[2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylimino]pent-2-en-2-amine

C22H22F6N2O2 — CID 162357936

IUPAC(Z)-1,1,1,5,5,5-hexafluoro-4-[2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylimino]pent-2-en-2-amine
SMILESCOc1ccc(CCOc2ccccc2CC/N=C(/C=C(\N)C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C22H22F6N2O2/c1-31-17-8-6-15(7-9-17)11-13-32-18-5-3-2-4-16(18)10-12-30-20(22(26,27)28)14-19(29)21(23,24)25/h2-9,14H,10-13,29H2,1H3/b19-14-,30-20-
InChIKeyFWLFUFAREOULSU-AHSBLRQHSA-N
MW460.42 g/mol
LogP5.27
Rot. Bonds9

About (Z)-1,1,1,5,5,5-hexafluoro-4-[2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylimino]pent-2-en-2-amine

(Z)-1,1,1,5,5,5-hexafluoro-4-[2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylimino]pent-2-en-2-amine (PubChem CID 162357936) has the molecular formula C22H22F6N2O2 and a molecular weight of 460.42 g/mol. Its IUPAC name is (Z)-1,1,1,5,5,5-hexafluoro-4-[2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylimino]pent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-1,1,1,5,5,5-hexafluoro-4-[2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylimino]pent-2-en-2-amine
PubChem CID162357936
Molecular FormulaC22H22F6N2O2
Molecular Weight460.42 g/mol
Exact Mass460.16
IUPAC Name(Z)-1,1,1,5,5,5-hexafluoro-4-[2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylimino]pent-2-en-2-amine
SMILESCOc1ccc(CCOc2ccccc2CC/N=C(/C=C(\N)C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C22H22F6N2O2/c1-31-17-8-6-15(7-9-17)11-13-32-18-5-3-2-4-16(18)10-12-30-20(22(26,27)28)14-19(29)21(23,24)25/h2-9,14H,10-13,29H2,1H3/b19-14-,30-20-
InChIKeyFWLFUFAREOULSU-AHSBLRQHSA-N
XLogP5.27
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.42
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 107713184
2-[2-(4-methoxyphenyl)ethoxy]benzaldehyde
CID 60643670
(1S)-1-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65447336
N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide
CID 62048855
1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111024071
N'-[2-(2-methoxyphenyl)ethyl]propanimidamide
CID 106262572
4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline
CID 65431768
2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine
CID 114321645
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanol
CID 60773075
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111410536
1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 114165563

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,5,5,5-hexafluoro-4-[2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylimino]pent-2-en-2-amine?
The IUPAC name of (Z)-1,1,1,5,5,5-hexafluoro-4-[2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylimino]pent-2-en-2-amine (CID 162357936) is (Z)-1,1,1,5,5,5-hexafluoro-4-[2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylimino]pent-2-en-2-amine.
What is the SMILES notation for (Z)-1,1,1,5,5,5-hexafluoro-4-[2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylimino]pent-2-en-2-amine?
The canonical SMILES for (Z)-1,1,1,5,5,5-hexafluoro-4-[2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylimino]pent-2-en-2-amine is COc1ccc(CCOc2ccccc2CC/N=C(/C=C(\N)C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of (Z)-1,1,1,5,5,5-hexafluoro-4-[2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylimino]pent-2-en-2-amine?
The InChIKey is FWLFUFAREOULSU-AHSBLRQHSA-N. The full InChI is InChI=1S/C22H22F6N2O2/c1-31-17-8-6-15(7-9-17)11-13-32-18-5-3-2-4-16(18)10-12-30-20(22(26,27)28)14-19(29)21(23,24)25/h2-9,14H,10-13,29H2,1H3/b19-14-,30-20-.
What are the key properties of (Z)-1,1,1,5,5,5-hexafluoro-4-[2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylimino]pent-2-en-2-amine?
(Z)-1,1,1,5,5,5-hexafluoro-4-[2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylimino]pent-2-en-2-amine has a molecular weight of 460.42 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,5,5,5-hexafluoro-4-[2-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylimino]pent-2-en-2-amine is sourced from PubChem (CID 162357936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).