5-[(3,4-difluorophenyl)methylideneamino]naphthalen-1-ol

C17H11F2NO — CID 2358813

IUPAC5-[(3,4-difluorophenyl)methylideneamino]naphthalen-1-ol
SMILESOc1cccc2c(/N=C/c3ccc(F)c(F)c3)cccc12
InChIInChI=1S/C17H11F2NO/c18-14-8-7-11(9-15(14)19)10-20-16-5-1-4-13-12(16)3-2-6-17(13)21/h1-10,21H/b20-10+
InChIKeyDWPWTFHNDIPCNU-KEBDBYFISA-N
MW283.28 g/mol
LogP4.57
Rot. Bonds2

About 5-[(3,4-difluorophenyl)methylideneamino]naphthalen-1-ol

5-[(3,4-difluorophenyl)methylideneamino]naphthalen-1-ol (PubChem CID 2358813) has the molecular formula C17H11F2NO and a molecular weight of 283.28 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)methylideneamino]naphthalen-1-ol.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)methylideneamino]naphthalen-1-ol
PubChem CID2358813
Molecular FormulaC17H11F2NO
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name5-[(3,4-difluorophenyl)methylideneamino]naphthalen-1-ol
SMILESOc1cccc2c(/N=C/c3ccc(F)c(F)c3)cccc12
InChIInChI=1S/C17H11F2NO/c18-14-8-7-11(9-15(14)19)10-20-16-5-1-4-13-12(16)3-2-6-17(13)21/h1-10,21H/b20-10+
InChIKeyDWPWTFHNDIPCNU-KEBDBYFISA-N
XLogP4.57
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)methylideneamino]naphthalen-1-ol?
The IUPAC name of 5-[(3,4-difluorophenyl)methylideneamino]naphthalen-1-ol (CID 2358813) is 5-[(3,4-difluorophenyl)methylideneamino]naphthalen-1-ol.
What is the SMILES notation for 5-[(3,4-difluorophenyl)methylideneamino]naphthalen-1-ol?
The canonical SMILES for 5-[(3,4-difluorophenyl)methylideneamino]naphthalen-1-ol is Oc1cccc2c(/N=C/c3ccc(F)c(F)c3)cccc12.
What is the InChIKey of 5-[(3,4-difluorophenyl)methylideneamino]naphthalen-1-ol?
The InChIKey is DWPWTFHNDIPCNU-KEBDBYFISA-N. The full InChI is InChI=1S/C17H11F2NO/c18-14-8-7-11(9-15(14)19)10-20-16-5-1-4-13-12(16)3-2-6-17(13)21/h1-10,21H/b20-10+.
What are the key properties of 5-[(3,4-difluorophenyl)methylideneamino]naphthalen-1-ol?
5-[(3,4-difluorophenyl)methylideneamino]naphthalen-1-ol has a molecular weight of 283.28 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)methylideneamino]naphthalen-1-ol is sourced from PubChem (CID 2358813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).