(Z)-N-[(3-chlorophenyl)methoxy]-1-fluoro-3,3-dimethylbutan-2-imine

C13H17ClFNO — CID 59062309

IUPAC(Z)-N-[(3-chlorophenyl)methoxy]-1-fluoro-3,3-dimethylbutan-2-imine
SMILESCC(C)(C)/C(CF)=N/OCc1cccc(Cl)c1
InChIInChI=1S/C13H17ClFNO/c1-13(2,3)12(8-15)16-17-9-10-5-4-6-11(14)7-10/h4-7H,8-9H2,1-3H3/b16-12+
InChIKeyMNQIBUXLFRVKMH-FOWTUZBSSA-N
MW257.74 g/mol
LogP4.23
Rot. Bonds4

About (Z)-N-[(3-chlorophenyl)methoxy]-1-fluoro-3,3-dimethylbutan-2-imine

(Z)-N-[(3-chlorophenyl)methoxy]-1-fluoro-3,3-dimethylbutan-2-imine (PubChem CID 59062309) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is (Z)-N-[(3-chlorophenyl)methoxy]-1-fluoro-3,3-dimethylbutan-2-imine.

Molecular Properties

Compound Name(Z)-N-[(3-chlorophenyl)methoxy]-1-fluoro-3,3-dimethylbutan-2-imine
PubChem CID59062309
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name(Z)-N-[(3-chlorophenyl)methoxy]-1-fluoro-3,3-dimethylbutan-2-imine
SMILESCC(C)(C)/C(CF)=N/OCc1cccc(Cl)c1
InChIInChI=1S/C13H17ClFNO/c1-13(2,3)12(8-15)16-17-9-10-5-4-6-11(14)7-10/h4-7H,8-9H2,1-3H3/b16-12+
InChIKeyMNQIBUXLFRVKMH-FOWTUZBSSA-N
XLogP4.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 54.23
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 (Z)-N-[(3-chlorophenyl)methoxy]-1-fluoro-3,3-dimethylbutan-2-imine?
The IUPAC name of (Z)-N-[(3-chlorophenyl)methoxy]-1-fluoro-3,3-dimethylbutan-2-imine (CID 59062309) is (Z)-N-[(3-chlorophenyl)methoxy]-1-fluoro-3,3-dimethylbutan-2-imine.
What is the SMILES notation for (Z)-N-[(3-chlorophenyl)methoxy]-1-fluoro-3,3-dimethylbutan-2-imine?
The canonical SMILES for (Z)-N-[(3-chlorophenyl)methoxy]-1-fluoro-3,3-dimethylbutan-2-imine is CC(C)(C)/C(CF)=N/OCc1cccc(Cl)c1.
What is the InChIKey of (Z)-N-[(3-chlorophenyl)methoxy]-1-fluoro-3,3-dimethylbutan-2-imine?
The InChIKey is MNQIBUXLFRVKMH-FOWTUZBSSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-13(2,3)12(8-15)16-17-9-10-5-4-6-11(14)7-10/h4-7H,8-9H2,1-3H3/b16-12+.
What are the key properties of (Z)-N-[(3-chlorophenyl)methoxy]-1-fluoro-3,3-dimethylbutan-2-imine?
(Z)-N-[(3-chlorophenyl)methoxy]-1-fluoro-3,3-dimethylbutan-2-imine has a molecular weight of 257.74 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3-chlorophenyl)methoxy]-1-fluoro-3,3-dimethylbutan-2-imine is sourced from PubChem (CID 59062309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).