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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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).