1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-propan-2-yloxyphenyl)methylideneamino]cyclohexane-1-carboxamide

C17H13F11N2O2 — CID 4662117

IUPAC1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-propan-2-yloxyphenyl)methylideneamino]cyclohexane-1-carboxamide
SMILESCC(C)Oc1ccc(C=NNC(=O)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)cc1
InChIInChI=1S/C17H13F11N2O2/c1-8(2)32-10-5-3-9(4-6-10)7-29-30-11(31)12(18)13(19,20)15(23,24)17(27,28)16(25,26)14(12,21)22/h3-8H,1-2H3,(H,30,31)
InChIKeyPXIDRIBCZCDBGK-UHFFFAOYSA-N
MW486.28 g/mol
LogP4.82
Rot. Bonds5

About 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-propan-2-yloxyphenyl)methylideneamino]cyclohexane-1-carboxamide

1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-propan-2-yloxyphenyl)methylideneamino]cyclohexane-1-carboxamide (PubChem CID 4662117) has the molecular formula C17H13F11N2O2 and a molecular weight of 486.28 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-propan-2-yloxyphenyl)methylideneamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-propan-2-yloxyphenyl)methylideneamino]cyclohexane-1-carboxamide
PubChem CID4662117
Molecular FormulaC17H13F11N2O2
Molecular Weight486.28 g/mol
Exact Mass486.08
IUPAC Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-propan-2-yloxyphenyl)methylideneamino]cyclohexane-1-carboxamide
SMILESCC(C)Oc1ccc(C=NNC(=O)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)cc1
InChIInChI=1S/C17H13F11N2O2/c1-8(2)32-10-5-3-9(4-6-10)7-29-30-11(31)12(18)13(19,20)15(23,24)17(27,28)16(25,26)14(12,21)22/h3-8H,1-2H3,(H,30,31)
InChIKeyPXIDRIBCZCDBGK-UHFFFAOYSA-N
XLogP4.82
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.28
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987
4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527
2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 110515550
2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110505830
5-bromo-N-[(4-propan-2-yloxyphenyl)methylideneamino]furan-2-carboxamide
CID 27519009
2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 19061065
N-(2,6-dimethylphenyl)-N'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide
CID 8899674
N-(2,3-dimethylphenyl)-N'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide
CID 8899667
3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5456482
2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 6081951
N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 5052209

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-propan-2-yloxyphenyl)methylideneamino]cyclohexane-1-carboxamide?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-propan-2-yloxyphenyl)methylideneamino]cyclohexane-1-carboxamide (CID 4662117) is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-propan-2-yloxyphenyl)methylideneamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-propan-2-yloxyphenyl)methylideneamino]cyclohexane-1-carboxamide?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-propan-2-yloxyphenyl)methylideneamino]cyclohexane-1-carboxamide is CC(C)Oc1ccc(C=NNC(=O)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)cc1.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-propan-2-yloxyphenyl)methylideneamino]cyclohexane-1-carboxamide?
The InChIKey is PXIDRIBCZCDBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F11N2O2/c1-8(2)32-10-5-3-9(4-6-10)7-29-30-11(31)12(18)13(19,20)15(23,24)17(27,28)16(25,26)14(12,21)22/h3-8H,1-2H3,(H,30,31).
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-propan-2-yloxyphenyl)methylideneamino]cyclohexane-1-carboxamide?
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-propan-2-yloxyphenyl)methylideneamino]cyclohexane-1-carboxamide has a molecular weight of 486.28 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-propan-2-yloxyphenyl)methylideneamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 4662117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).