1,1,1,3,3,3-hexafluoro-N-phenylmethoxypropan-2-imine

C10H7F6NO — CID 561263

IUPAC1,1,1,3,3,3-hexafluoro-N-phenylmethoxypropan-2-imine
SMILESFC(F)(F)C(=NOCc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H7F6NO/c11-9(12,13)8(10(14,15)16)17-18-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyZZBJLNAIZNKQST-UHFFFAOYSA-N
MW271.16 g/mol
LogP3.68
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-N-phenylmethoxypropan-2-imine

1,1,1,3,3,3-hexafluoro-N-phenylmethoxypropan-2-imine (PubChem CID 561263) has the molecular formula C10H7F6NO and a molecular weight of 271.16 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-N-phenylmethoxypropan-2-imine.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-N-phenylmethoxypropan-2-imine
PubChem CID561263
Molecular FormulaC10H7F6NO
Molecular Weight271.16 g/mol
Exact Mass271.04
IUPAC Name1,1,1,3,3,3-hexafluoro-N-phenylmethoxypropan-2-imine
SMILESFC(F)(F)C(=NOCc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H7F6NO/c11-9(12,13)8(10(14,15)16)17-18-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyZZBJLNAIZNKQST-UHFFFAOYSA-N
XLogP3.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 53.68
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'}

Analyze 1,1,1,3,3,3-hexafluoro-N-phenylmethoxypropan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-N-phenylmethoxypropan-2-imine?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-N-phenylmethoxypropan-2-imine (CID 561263) is 1,1,1,3,3,3-hexafluoro-N-phenylmethoxypropan-2-imine.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-N-phenylmethoxypropan-2-imine?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-N-phenylmethoxypropan-2-imine is FC(F)(F)C(=NOCc1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-N-phenylmethoxypropan-2-imine?
The InChIKey is ZZBJLNAIZNKQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO/c11-9(12,13)8(10(14,15)16)17-18-6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-N-phenylmethoxypropan-2-imine?
1,1,1,3,3,3-hexafluoro-N-phenylmethoxypropan-2-imine has a molecular weight of 271.16 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-N-phenylmethoxypropan-2-imine is sourced from PubChem (CID 561263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).