(NZ)-N-[(Z)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-1-(1H-inden-5-yl)but-2-enylidene]hydroxylamine

C19H12Cl2F3NO — CID 141271542

IUPAC(NZ)-N-[(Z)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-1-(1H-inden-5-yl)but-2-enylidene]hydroxylamine
SMILESO/N=C(/C=C(/c1cc(Cl)cc(Cl)c1)C(F)(F)F)c1ccc2c(c1)C=CC2
InChIInChI=1S/C19H12Cl2F3NO/c20-15-7-14(8-16(21)9-15)17(19(22,23)24)10-18(25-26)13-5-4-11-2-1-3-12(11)6-13/h1,3-10,26H,2H2/b17-10-,25-18-
InChIKeyRRVCHOJUIRSSSX-SGZMIYQASA-N
MW398.21 g/mol
LogP6.39
Rot. Bonds3

About (NZ)-N-[(Z)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-1-(1H-inden-5-yl)but-2-enylidene]hydroxylamine

(NZ)-N-[(Z)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-1-(1H-inden-5-yl)but-2-enylidene]hydroxylamine (PubChem CID 141271542) has the molecular formula C19H12Cl2F3NO and a molecular weight of 398.21 g/mol. Its IUPAC name is (NZ)-N-[(Z)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-1-(1H-inden-5-yl)but-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(Z)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-1-(1H-inden-5-yl)but-2-enylidene]hydroxylamine
PubChem CID141271542
Molecular FormulaC19H12Cl2F3NO
Molecular Weight398.21 g/mol
Exact Mass397.02
IUPAC Name(NZ)-N-[(Z)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-1-(1H-inden-5-yl)but-2-enylidene]hydroxylamine
SMILESO/N=C(/C=C(/c1cc(Cl)cc(Cl)c1)C(F)(F)F)c1ccc2c(c1)C=CC2
InChIInChI=1S/C19H12Cl2F3NO/c20-15-7-14(8-16(21)9-15)17(19(22,23)24)10-18(25-26)13-5-4-11-2-1-3-12(11)6-13/h1,3-10,26H,2H2/b17-10-,25-18-
InChIKeyRRVCHOJUIRSSSX-SGZMIYQASA-N
XLogP6.39
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.21
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (NZ)-N-[(Z)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-1-(1H-inden-5-yl)but-2-enylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(Z)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-1-(1H-inden-5-yl)but-2-enylidene]hydroxylamine (CID 141271542) is (NZ)-N-[(Z)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-1-(1H-inden-5-yl)but-2-enylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(Z)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-1-(1H-inden-5-yl)but-2-enylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(Z)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-1-(1H-inden-5-yl)but-2-enylidene]hydroxylamine is O/N=C(/C=C(/c1cc(Cl)cc(Cl)c1)C(F)(F)F)c1ccc2c(c1)C=CC2.
What is the InChIKey of (NZ)-N-[(Z)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-1-(1H-inden-5-yl)but-2-enylidene]hydroxylamine?
The InChIKey is RRVCHOJUIRSSSX-SGZMIYQASA-N. The full InChI is InChI=1S/C19H12Cl2F3NO/c20-15-7-14(8-16(21)9-15)17(19(22,23)24)10-18(25-26)13-5-4-11-2-1-3-12(11)6-13/h1,3-10,26H,2H2/b17-10-,25-18-.
What are the key properties of (NZ)-N-[(Z)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-1-(1H-inden-5-yl)but-2-enylidene]hydroxylamine?
(NZ)-N-[(Z)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-1-(1H-inden-5-yl)but-2-enylidene]hydroxylamine has a molecular weight of 398.21 g/mol, XLogP of 6.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(Z)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-1-(1H-inden-5-yl)but-2-enylidene]hydroxylamine is sourced from PubChem (CID 141271542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).