5-amino-4,8-difluoronaphthalen-1-ol

C10H7F2NO — CID 18457395

IUPAC5-amino-4,8-difluoronaphthalen-1-ol
SMILESNc1ccc(F)c2c(O)ccc(F)c12
InChIInChI=1S/C10H7F2NO/c11-5-2-4-8(14)10-6(12)1-3-7(13)9(5)10/h1-4,14H,13H2
InChIKeySWRYWKHFFYZHHR-UHFFFAOYSA-N
MW195.17 g/mol
LogP2.41
Rot. Bonds

About 5-amino-4,8-difluoronaphthalen-1-ol

5-amino-4,8-difluoronaphthalen-1-ol (PubChem CID 18457395) has the molecular formula C10H7F2NO and a molecular weight of 195.17 g/mol. Its IUPAC name is 5-amino-4,8-difluoronaphthalen-1-ol.

Molecular Properties

Compound Name5-amino-4,8-difluoronaphthalen-1-ol
PubChem CID18457395
Molecular FormulaC10H7F2NO
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name5-amino-4,8-difluoronaphthalen-1-ol
SMILESNc1ccc(F)c2c(O)ccc(F)c12
InChIInChI=1S/C10H7F2NO/c11-5-2-4-8(14)10-6(12)1-3-7(13)9(5)10/h1-4,14H,13H2
InChIKeySWRYWKHFFYZHHR-UHFFFAOYSA-N
XLogP2.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-7-fluoro-2H-isoindol-1-ol
CID 91052579
1,9-diaminodibenzothiophene-4,6-diol
CID 68825078
2,8-difluoronaphthalene-1,5-diamine
CID 18457200
5,8-diamino-4-hydroxynaphthalene-1-sulfonic acid
CID 86234936
4-amino-3-methyl-1H-indol-7-ol
CID 82415317
3,8-difluoronaphthalene-1,5-diamine
CID 18457203
2,4-difluorobenzene-1,3-diol
CID 10844515
3,4-difluorobenzene-1,2-diamine
CID 2736753
6-amino-3-fluoro-2-(2-hydroxyphenyl)phenol;ethane
CID 167453432
1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone
CID 171017806
1-(3-amino-6-fluoro-2-hydroxyphenyl)ethanone
CID 131372695
3-bromo-4-fluoro-1-benzothiophen-7-ol
CID 131053544

Frequently Asked Questions

What is the IUPAC name of 5-amino-4,8-difluoronaphthalen-1-ol?
The IUPAC name of 5-amino-4,8-difluoronaphthalen-1-ol (CID 18457395) is 5-amino-4,8-difluoronaphthalen-1-ol.
What is the SMILES notation for 5-amino-4,8-difluoronaphthalen-1-ol?
The canonical SMILES for 5-amino-4,8-difluoronaphthalen-1-ol is Nc1ccc(F)c2c(O)ccc(F)c12.
What is the InChIKey of 5-amino-4,8-difluoronaphthalen-1-ol?
The InChIKey is SWRYWKHFFYZHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO/c11-5-2-4-8(14)10-6(12)1-3-7(13)9(5)10/h1-4,14H,13H2.
What are the key properties of 5-amino-4,8-difluoronaphthalen-1-ol?
5-amino-4,8-difluoronaphthalen-1-ol has a molecular weight of 195.17 g/mol, XLogP of 2.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4,8-difluoronaphthalen-1-ol is sourced from PubChem (CID 18457395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).