(2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4,6-trifluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one

C18H14ClF3N2O — CID 59463501

IUPAC(2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4,6-trifluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one
SMILESC/C(Cc1c(F)cc(F)cc1F)=N/N=C(/C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClF3N2O/c1-10(7-15-16(21)8-14(20)9-17(15)22)23-24-11(2)18(25)12-3-5-13(19)6-4-12/h3-6,8-9H,7H2,1-2H3/b23-10-,24-11-
InChIKeyCUQDLQUIFQSVJJ-LXBWIMAGSA-N
MW366.77 g/mol
LogP5.02
Rot. Bonds5

About (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4,6-trifluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one

(2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4,6-trifluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one (PubChem CID 59463501) has the molecular formula C18H14ClF3N2O and a molecular weight of 366.77 g/mol. Its IUPAC name is (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4,6-trifluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one.

Molecular Properties

Compound Name(2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4,6-trifluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one
PubChem CID59463501
Molecular FormulaC18H14ClF3N2O
Molecular Weight366.77 g/mol
Exact Mass366.07
IUPAC Name(2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4,6-trifluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one
SMILESC/C(Cc1c(F)cc(F)cc1F)=N/N=C(/C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClF3N2O/c1-10(7-15-16(21)8-14(20)9-17(15)22)23-24-11(2)18(25)12-3-5-13(19)6-4-12/h3-6,8-9H,7H2,1-2H3/b23-10-,24-11-
InChIKeyCUQDLQUIFQSVJJ-LXBWIMAGSA-N
XLogP5.02
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.77
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4,6-trifluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one?
The IUPAC name of (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4,6-trifluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one (CID 59463501) is (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4,6-trifluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one.
What is the SMILES notation for (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4,6-trifluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one?
The canonical SMILES for (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4,6-trifluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one is C/C(Cc1c(F)cc(F)cc1F)=N/N=C(/C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4,6-trifluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one?
The InChIKey is CUQDLQUIFQSVJJ-LXBWIMAGSA-N. The full InChI is InChI=1S/C18H14ClF3N2O/c1-10(7-15-16(21)8-14(20)9-17(15)22)23-24-11(2)18(25)12-3-5-13(19)6-4-12/h3-6,8-9H,7H2,1-2H3/b23-10-,24-11-.
What are the key properties of (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4,6-trifluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one?
(2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4,6-trifluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one has a molecular weight of 366.77 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-(4-chlorophenyl)-2-[(Z)-1-(2,4,6-trifluorophenyl)propan-2-ylidenehydrazinylidene]propan-1-one is sourced from PubChem (CID 59463501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).