N-[2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-yl]oxymethanimine

C11H10Cl2F3NO — CID 90829982

IUPACN-[2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-yl]oxymethanimine
SMILESC=NOC(CC)(c1cc(Cl)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/C11H10Cl2F3NO/c1-3-10(18-17-2,11(14,15)16)7-4-8(12)6-9(13)5-7/h4-6H,2-3H2,1H3
InChIKeyAUHLXHLIAVSPDH-UHFFFAOYSA-N
MW300.11 g/mol
LogP4.79
Rot. Bonds4

About N-[2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-yl]oxymethanimine

N-[2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-yl]oxymethanimine (PubChem CID 90829982) has the molecular formula C11H10Cl2F3NO and a molecular weight of 300.11 g/mol. Its IUPAC name is N-[2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-yl]oxymethanimine.

Molecular Properties

Compound NameN-[2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-yl]oxymethanimine
PubChem CID90829982
Molecular FormulaC11H10Cl2F3NO
Molecular Weight300.11 g/mol
Exact Mass299.01
IUPAC NameN-[2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-yl]oxymethanimine
SMILESC=NOC(CC)(c1cc(Cl)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/C11H10Cl2F3NO/c1-3-10(18-17-2,11(14,15)16)7-4-8(12)6-9(13)5-7/h4-6H,2-3H2,1H3
InChIKeyAUHLXHLIAVSPDH-UHFFFAOYSA-N
XLogP4.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 N-[2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-yl]oxymethanimine?
The IUPAC name of N-[2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-yl]oxymethanimine (CID 90829982) is N-[2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-yl]oxymethanimine.
What is the SMILES notation for N-[2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-yl]oxymethanimine?
The canonical SMILES for N-[2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-yl]oxymethanimine is C=NOC(CC)(c1cc(Cl)cc(Cl)c1)C(F)(F)F.
What is the InChIKey of N-[2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-yl]oxymethanimine?
The InChIKey is AUHLXHLIAVSPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2F3NO/c1-3-10(18-17-2,11(14,15)16)7-4-8(12)6-9(13)5-7/h4-6H,2-3H2,1H3.
What are the key properties of N-[2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-yl]oxymethanimine?
N-[2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-yl]oxymethanimine has a molecular weight of 300.11 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-yl]oxymethanimine is sourced from PubChem (CID 90829982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).