4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-[[2-[[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol

C36H20F34N2O2 — CID 136819174

IUPAC4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-[[2-[[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol
SMILESOc1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1/C=N\C1CCCCC1/N=C/c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1O
InChIInChI=1S/C36H20F34N2O2/c37-21(38,23(41,42)25(45,46)27(49,50)29(53,54)31(57,58)33(61,62)35(65,66)67)15-5-7-19(73)13(9-15)11-71-17-3-1-2-4-18(17)72-12-14-10-16(6-8-20(14)74)22(39,40)24(43,44)26(47,48)28(51,52)30(55,56)32(59,60)34(63,64)36(68,69)70/h5-12,17-18,73-74H,1-4H2/b71-11-,72-12+
InChIKeyUAQGIWWURROQJH-SGKLHZHSSA-N
MW1158.50 g/mol
LogP14.88
Rot. Bonds18

About 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-[[2-[[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol

4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-[[2-[[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol (PubChem CID 136819174) has the molecular formula C36H20F34N2O2 and a molecular weight of 1158.50 g/mol. Its IUPAC name is 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-[[2-[[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-[[2-[[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol
PubChem CID136819174
Molecular FormulaC36H20F34N2O2
Molecular Weight1158.50 g/mol
Exact Mass1158.10
IUPAC Name4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-[[2-[[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol
SMILESOc1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1/C=N\C1CCCCC1/N=C/c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1O
InChIInChI=1S/C36H20F34N2O2/c37-21(38,23(41,42)25(45,46)27(49,50)29(53,54)31(57,58)33(61,62)35(65,66)67)15-5-7-19(73)13(9-15)11-71-17-3-1-2-4-18(17)72-12-14-10-16(6-8-20(14)74)22(39,40)24(43,44)26(47,48)28(51,52)30(55,56)32(59,60)34(63,64)36(68,69)70/h5-12,17-18,73-74H,1-4H2/b71-11-,72-12+
InChIKeyUAQGIWWURROQJH-SGKLHZHSSA-N
XLogP14.88
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001158.50
LogP ≤ 514.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-[[2-[[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol with MolForge

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Related Compounds

2-[[2-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4-(trifluoromethyl)phenol
CID 137119365
4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 136775436
2-[[(1S,2S)-2-[[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethoxy)phenol
CID 177457494
4-tert-butyl-2-[[(1R,2R)-2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;cobalt;nitric acid
CID 165430868
4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol
CID 137081890
2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 135987838
copper;2-[[(1S,2S)-2-[(2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 135501676
2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol
CID 159587394
4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol
CID 137148214
4-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]benzene-1,3-diol
CID 157078138
4-tert-butyl-2-[[(1R,2R)-2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methylphenol
CID 136611019
2-[[(1S,2S)-2-aminocyclohexyl]iminomethyl]-4-methoxyphenol
CID 135750215

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-[[2-[[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol?
The IUPAC name of 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-[[2-[[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol (CID 136819174) is 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-[[2-[[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol.
What is the SMILES notation for 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-[[2-[[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol?
The canonical SMILES for 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-[[2-[[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol is Oc1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1/C=N\C1CCCCC1/N=C/c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1O.
What is the InChIKey of 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-[[2-[[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol?
The InChIKey is UAQGIWWURROQJH-SGKLHZHSSA-N. The full InChI is InChI=1S/C36H20F34N2O2/c37-21(38,23(41,42)25(45,46)27(49,50)29(53,54)31(57,58)33(61,62)35(65,66)67)15-5-7-19(73)13(9-15)11-71-17-3-1-2-4-18(17)72-12-14-10-16(6-8-20(14)74)22(39,40)24(43,44)26(47,48)28(51,52)30(55,56)32(59,60)34(63,64)36(68,69)70/h5-12,17-18,73-74H,1-4H2/b71-11-,72-12+.
What are the key properties of 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-[[2-[[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol?
4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-[[2-[[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol has a molecular weight of 1158.50 g/mol, XLogP of 14.88, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-[[2-[[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol is sourced from PubChem (CID 136819174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).