2-fluoro-5-[(6-fluoro-1H-indazol-4-yl)amino]-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol

C20H18F5N3O2 — CID 24781010

IUPAC2-fluoro-5-[(6-fluoro-1H-indazol-4-yl)amino]-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol
SMILESCC1(C)CC(O)(C(F)(F)F)C(Nc2cc(F)cc3[nH]ncc23)c2ccc(F)c(O)c21
InChIInChI=1S/C20H18F5N3O2/c1-18(2)8-19(30,20(23,24)25)17(10-3-4-12(22)16(29)15(10)18)27-13-5-9(21)6-14-11(13)7-26-28-14/h3-7,17,27,29-30H,8H2,1-2H3,(H,26,28)
InChIKeyCSMGALWNBLJDJB-UHFFFAOYSA-N
MW427.37 g/mol
LogP4.67
Rot. Bonds2

About 2-fluoro-5-[(6-fluoro-1H-indazol-4-yl)amino]-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol

2-fluoro-5-[(6-fluoro-1H-indazol-4-yl)amino]-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol (PubChem CID 24781010) has the molecular formula C20H18F5N3O2 and a molecular weight of 427.37 g/mol. Its IUPAC name is 2-fluoro-5-[(6-fluoro-1H-indazol-4-yl)amino]-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol.

Molecular Properties

Compound Name2-fluoro-5-[(6-fluoro-1H-indazol-4-yl)amino]-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol
PubChem CID24781010
Molecular FormulaC20H18F5N3O2
Molecular Weight427.37 g/mol
Exact Mass427.13
IUPAC Name2-fluoro-5-[(6-fluoro-1H-indazol-4-yl)amino]-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol
SMILESCC1(C)CC(O)(C(F)(F)F)C(Nc2cc(F)cc3[nH]ncc23)c2ccc(F)c(O)c21
InChIInChI=1S/C20H18F5N3O2/c1-18(2)8-19(30,20(23,24)25)17(10-3-4-12(22)16(29)15(10)18)27-13-5-9(21)6-14-11(13)7-26-28-14/h3-7,17,27,29-30H,8H2,1-2H3,(H,26,28)
InChIKeyCSMGALWNBLJDJB-UHFFFAOYSA-N
XLogP4.67
TPSA81.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.37
LogP ≤ 54.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(6-fluoro-1H-indazol-4-yl)amino]-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol?
The IUPAC name of 2-fluoro-5-[(6-fluoro-1H-indazol-4-yl)amino]-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol (CID 24781010) is 2-fluoro-5-[(6-fluoro-1H-indazol-4-yl)amino]-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol.
What is the SMILES notation for 2-fluoro-5-[(6-fluoro-1H-indazol-4-yl)amino]-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol?
The canonical SMILES for 2-fluoro-5-[(6-fluoro-1H-indazol-4-yl)amino]-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol is CC1(C)CC(O)(C(F)(F)F)C(Nc2cc(F)cc3[nH]ncc23)c2ccc(F)c(O)c21.
What is the InChIKey of 2-fluoro-5-[(6-fluoro-1H-indazol-4-yl)amino]-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol?
The InChIKey is CSMGALWNBLJDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F5N3O2/c1-18(2)8-19(30,20(23,24)25)17(10-3-4-12(22)16(29)15(10)18)27-13-5-9(21)6-14-11(13)7-26-28-14/h3-7,17,27,29-30H,8H2,1-2H3,(H,26,28).
What are the key properties of 2-fluoro-5-[(6-fluoro-1H-indazol-4-yl)amino]-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol?
2-fluoro-5-[(6-fluoro-1H-indazol-4-yl)amino]-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol has a molecular weight of 427.37 g/mol, XLogP of 4.67, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(6-fluoro-1H-indazol-4-yl)amino]-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol is sourced from PubChem (CID 24781010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).