N-[2,4-bis(4-chlorophenyl)-1,5-difluoropentan-3-ylidene]hydroxylamine

C17H15Cl2F2NO — CID 157228424

IUPACN-[2,4-bis(4-chlorophenyl)-1,5-difluoropentan-3-ylidene]hydroxylamine
SMILESON=C(C(CF)c1ccc(Cl)cc1)C(CF)c1ccc(Cl)cc1
InChIInChI=1S/C17H15Cl2F2NO/c18-13-5-1-11(2-6-13)15(9-20)17(22-23)16(10-21)12-3-7-14(19)8-4-12/h1-8,15-16,23H,9-10H2
InChIKeyCCBNLYLPFOWECN-UHFFFAOYSA-N
MW358.22 g/mol
LogP5.63
Rot. Bonds6

About N-[2,4-bis(4-chlorophenyl)-1,5-difluoropentan-3-ylidene]hydroxylamine

N-[2,4-bis(4-chlorophenyl)-1,5-difluoropentan-3-ylidene]hydroxylamine (PubChem CID 157228424) has the molecular formula C17H15Cl2F2NO and a molecular weight of 358.22 g/mol. Its IUPAC name is N-[2,4-bis(4-chlorophenyl)-1,5-difluoropentan-3-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2,4-bis(4-chlorophenyl)-1,5-difluoropentan-3-ylidene]hydroxylamine
PubChem CID157228424
Molecular FormulaC17H15Cl2F2NO
Molecular Weight358.22 g/mol
Exact Mass357.05
IUPAC NameN-[2,4-bis(4-chlorophenyl)-1,5-difluoropentan-3-ylidene]hydroxylamine
SMILESON=C(C(CF)c1ccc(Cl)cc1)C(CF)c1ccc(Cl)cc1
InChIInChI=1S/C17H15Cl2F2NO/c18-13-5-1-11(2-6-13)15(9-20)17(22-23)16(10-21)12-3-7-14(19)8-4-12/h1-8,15-16,23H,9-10H2
InChIKeyCCBNLYLPFOWECN-UHFFFAOYSA-N
XLogP5.63
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.22
LogP ≤ 55.63
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 N-[2,4-bis(4-chlorophenyl)-1,5-difluoropentan-3-ylidene]hydroxylamine?
The IUPAC name of N-[2,4-bis(4-chlorophenyl)-1,5-difluoropentan-3-ylidene]hydroxylamine (CID 157228424) is N-[2,4-bis(4-chlorophenyl)-1,5-difluoropentan-3-ylidene]hydroxylamine.
What is the SMILES notation for N-[2,4-bis(4-chlorophenyl)-1,5-difluoropentan-3-ylidene]hydroxylamine?
The canonical SMILES for N-[2,4-bis(4-chlorophenyl)-1,5-difluoropentan-3-ylidene]hydroxylamine is ON=C(C(CF)c1ccc(Cl)cc1)C(CF)c1ccc(Cl)cc1.
What is the InChIKey of N-[2,4-bis(4-chlorophenyl)-1,5-difluoropentan-3-ylidene]hydroxylamine?
The InChIKey is CCBNLYLPFOWECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F2NO/c18-13-5-1-11(2-6-13)15(9-20)17(22-23)16(10-21)12-3-7-14(19)8-4-12/h1-8,15-16,23H,9-10H2.
What are the key properties of N-[2,4-bis(4-chlorophenyl)-1,5-difluoropentan-3-ylidene]hydroxylamine?
N-[2,4-bis(4-chlorophenyl)-1,5-difluoropentan-3-ylidene]hydroxylamine has a molecular weight of 358.22 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(4-chlorophenyl)-1,5-difluoropentan-3-ylidene]hydroxylamine is sourced from PubChem (CID 157228424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).