3,4-difluoronaphthalene-2,6-diol

C10H6F2O2 — CID 18457308

IUPAC3,4-difluoronaphthalene-2,6-diol
SMILESOc1ccc2cc(O)c(F)c(F)c2c1
InChIInChI=1S/C10H6F2O2/c11-9-7-4-6(13)2-1-5(7)3-8(14)10(9)12/h1-4,13-14H
InChIKeyBTMKCODWIBTVBV-UHFFFAOYSA-N
MW196.15 g/mol
LogP2.53
Rot. Bonds

About 3,4-difluoronaphthalene-2,6-diol

3,4-difluoronaphthalene-2,6-diol (PubChem CID 18457308) has the molecular formula C10H6F2O2 and a molecular weight of 196.15 g/mol. Its IUPAC name is 3,4-difluoronaphthalene-2,6-diol.

Molecular Properties

Compound Name3,4-difluoronaphthalene-2,6-diol
PubChem CID18457308
Molecular FormulaC10H6F2O2
Molecular Weight196.15 g/mol
Exact Mass196.03
IUPAC Name3,4-difluoronaphthalene-2,6-diol
SMILESOc1ccc2cc(O)c(F)c(F)c2c1
InChIInChI=1S/C10H6F2O2/c11-9-7-4-6(13)2-1-5(7)3-8(14)10(9)12/h1-4,13-14H
InChIKeyBTMKCODWIBTVBV-UHFFFAOYSA-N
XLogP2.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-7-hydroxynaphthalene-2-carboxylic acid
CID 115024408
1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol
CID 121311364
2-methylnaphthalene-1,3,7-triol
CID 159488157
1-(2,7-dihydroxynaphthalen-1-yl)naphthalene-2,7-diol
CID 11415880
3-aminonaphthalene-1,7-diol
CID 105435991
3-[5-(3,6-dihydroxynaphthalen-2-yl)-2,4-difluoro-3-methylphenyl]naphthalene-2,7-diol
CID 155362123
8-fluoro-6-(methylamino)naphthalen-2-ol
CID 69473206
5-amino-7,8-difluoronaphthalen-2-ol
CID 141091751
1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-diol
CID 146469077
dimethyl 3,7-dihydroxynaphthalene-1,2-dicarboxylate
CID 145325415
triphenylene-2,6,10-triol
CID 19043276
1-(2-hydroxy-5-methylphenyl)naphthalene-2,6-diol
CID 10015760

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoronaphthalene-2,6-diol?
The IUPAC name of 3,4-difluoronaphthalene-2,6-diol (CID 18457308) is 3,4-difluoronaphthalene-2,6-diol.
What is the SMILES notation for 3,4-difluoronaphthalene-2,6-diol?
The canonical SMILES for 3,4-difluoronaphthalene-2,6-diol is Oc1ccc2cc(O)c(F)c(F)c2c1.
What is the InChIKey of 3,4-difluoronaphthalene-2,6-diol?
The InChIKey is BTMKCODWIBTVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2O2/c11-9-7-4-6(13)2-1-5(7)3-8(14)10(9)12/h1-4,13-14H.
What are the key properties of 3,4-difluoronaphthalene-2,6-diol?
3,4-difluoronaphthalene-2,6-diol has a molecular weight of 196.15 g/mol, XLogP of 2.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoronaphthalene-2,6-diol is sourced from PubChem (CID 18457308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).