1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]propan-1-amine

C13H13F7N2O — CID 126045816

IUPAC1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]propan-1-amine
SMILESCC(C)Oc1cccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C13H13F7N2O/c1-8(2)23-10-5-3-4-9(6-10)7-21-22-13(19,20)11(14,15)12(16,17)18/h3-8,22H,1-2H3/b21-7-
InChIKeyQSQDLKQNAWVDIN-YXSASFKJSA-N
MW346.25 g/mol
LogP4.19
Rot. Bonds6

About 1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]propan-1-amine

1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]propan-1-amine (PubChem CID 126045816) has the molecular formula C13H13F7N2O and a molecular weight of 346.25 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]propan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]propan-1-amine
PubChem CID126045816
Molecular FormulaC13H13F7N2O
Molecular Weight346.25 g/mol
Exact Mass346.09
IUPAC Name1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]propan-1-amine
SMILESCC(C)Oc1cccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C13H13F7N2O/c1-8(2)23-10-5-3-4-9(6-10)7-21-22-13(19,20)11(14,15)12(16,17)18/h3-8,22H,1-2H3/b21-7-
InChIKeyQSQDLKQNAWVDIN-YXSASFKJSA-N
XLogP4.19
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110505475
3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110504997
N-[(Z)-(3,5-dibromo-2-propan-2-yloxyphenyl)methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126054852
4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509128
N-[(E)-[4-[(2S)-butan-2-yl]oxy-3,5-dichlorophenyl]methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126039627
4-chloro-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 110516223
6-tert-butyl-5-[(2E)-2-[(3-propan-2-yloxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110514561
2-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 110524827
1,1,2,2,3,3,3-heptafluoro-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propan-1-amine
CID 126048176
2-(2,4-dimethylphenyl)-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 92657857
N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
CID 110339403
(2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
CID 5413551

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]propan-1-amine?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]propan-1-amine (CID 126045816) is 1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]propan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]propan-1-amine?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]propan-1-amine is CC(C)Oc1cccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c1.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]propan-1-amine?
The InChIKey is QSQDLKQNAWVDIN-YXSASFKJSA-N. The full InChI is InChI=1S/C13H13F7N2O/c1-8(2)23-10-5-3-4-9(6-10)7-21-22-13(19,20)11(14,15)12(16,17)18/h3-8,22H,1-2H3/b21-7-.
What are the key properties of 1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]propan-1-amine?
1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]propan-1-amine has a molecular weight of 346.25 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoro-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]propan-1-amine is sourced from PubChem (CID 126045816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).