3-fluoro-1-(3-fluoro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;3-fluoro-1-[3-fluoro-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;hydron

C44H33F4O6+ — CID 162217619

IUPAC3-fluoro-1-(3-fluoro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;3-fluoro-1-[3-fluoro-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;hydron
SMILESCOCOc1c(F)cc2ccccc2c1-c1c(OCOC)c(F)cc2ccccc12.Oc1c(F)cc2ccccc2c1-c1c(O)c(F)cc2ccccc12.[H+]
InChIInChI=1S/C24H20F2O4.C20H12F2O2/c1-27-13-29-23-19(25)11-15-7-3-5-9-17(15)21(23)22-18-10-6-4-8-16(18)12-20(26)24(22)30-14-28-2;21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h3-12H,13-14H2,1-2H3;1-10,23-24H/p+1
InChIKeyZTRJLQOQYXDMSD-UHFFFAOYSA-O
MW733.73 g/mol
LogP11.37
Rot. Bonds8

About 3-fluoro-1-(3-fluoro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;3-fluoro-1-[3-fluoro-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;hydron

3-fluoro-1-(3-fluoro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;3-fluoro-1-[3-fluoro-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;hydron (PubChem CID 162217619) has the molecular formula C44H33F4O6+ and a molecular weight of 733.73 g/mol. Its IUPAC name is 3-fluoro-1-(3-fluoro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;3-fluoro-1-[3-fluoro-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;hydron.

Molecular Properties

Compound Name3-fluoro-1-(3-fluoro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;3-fluoro-1-[3-fluoro-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;hydron
PubChem CID162217619
Molecular FormulaC44H33F4O6+
Molecular Weight733.73 g/mol
Exact Mass733.22
IUPAC Name3-fluoro-1-(3-fluoro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;3-fluoro-1-[3-fluoro-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;hydron
SMILESCOCOc1c(F)cc2ccccc2c1-c1c(OCOC)c(F)cc2ccccc12.Oc1c(F)cc2ccccc2c1-c1c(O)c(F)cc2ccccc12.[H+]
InChIInChI=1S/C24H20F2O4.C20H12F2O2/c1-27-13-29-23-19(25)11-15-7-3-5-9-17(15)21(23)22-18-10-6-4-8-16(18)12-20(26)24(22)30-14-28-2;21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h3-12H,13-14H2,1-2H3;1-10,23-24H/p+1
InChIKeyZTRJLQOQYXDMSD-UHFFFAOYSA-O
XLogP11.37
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.73
LogP ≤ 511.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-fluoro-1-(3-fluoro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;3-fluoro-1-[3-fluoro-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;hydron with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-fluoro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;3-fluoro-1-[3-fluoro-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;hydron?
The IUPAC name of 3-fluoro-1-(3-fluoro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;3-fluoro-1-[3-fluoro-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;hydron (CID 162217619) is 3-fluoro-1-(3-fluoro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;3-fluoro-1-[3-fluoro-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;hydron.
What is the SMILES notation for 3-fluoro-1-(3-fluoro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;3-fluoro-1-[3-fluoro-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;hydron?
The canonical SMILES for 3-fluoro-1-(3-fluoro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;3-fluoro-1-[3-fluoro-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;hydron is COCOc1c(F)cc2ccccc2c1-c1c(OCOC)c(F)cc2ccccc12.Oc1c(F)cc2ccccc2c1-c1c(O)c(F)cc2ccccc12.[H+].
What is the InChIKey of 3-fluoro-1-(3-fluoro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;3-fluoro-1-[3-fluoro-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;hydron?
The InChIKey is ZTRJLQOQYXDMSD-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H20F2O4.C20H12F2O2/c1-27-13-29-23-19(25)11-15-7-3-5-9-17(15)21(23)22-18-10-6-4-8-16(18)12-20(26)24(22)30-14-28-2;21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h3-12H,13-14H2,1-2H3;1-10,23-24H/p+1.
What are the key properties of 3-fluoro-1-(3-fluoro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;3-fluoro-1-[3-fluoro-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;hydron?
3-fluoro-1-(3-fluoro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;3-fluoro-1-[3-fluoro-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;hydron has a molecular weight of 733.73 g/mol, XLogP of 11.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-fluoro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;3-fluoro-1-[3-fluoro-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;hydron is sourced from PubChem (CID 162217619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).