6-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol

C20H19F2NO2 — CID 156879129

IUPAC6-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol
SMILESCc1cc(-n2c(C3CCOCC3)cc3c(O)cc(F)cc32)ccc1F
InChIInChI=1S/C20H19F2NO2/c1-12-8-15(2-3-17(12)22)23-18(13-4-6-25-7-5-13)11-16-19(23)9-14(21)10-20(16)24/h2-3,8-11,13,24H,4-7H2,1H3
InChIKeyNLJCATVTERCWAJ-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.82
Rot. Bonds2

About 6-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol

6-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol (PubChem CID 156879129) has the molecular formula C20H19F2NO2 and a molecular weight of 343.37 g/mol. Its IUPAC name is 6-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol.

Molecular Properties

Compound Name6-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol
PubChem CID156879129
Molecular FormulaC20H19F2NO2
Molecular Weight343.37 g/mol
Exact Mass343.14
IUPAC Name6-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol
SMILESCc1cc(-n2c(C3CCOCC3)cc3c(O)cc(F)cc32)ccc1F
InChIInChI=1S/C20H19F2NO2/c1-12-8-15(2-3-17(12)22)23-18(13-4-6-25-7-5-13)11-16-19(23)9-14(21)10-20(16)24/h2-3,8-11,13,24H,4-7H2,1H3
InChIKeyNLJCATVTERCWAJ-UHFFFAOYSA-N
XLogP4.82
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol?
The IUPAC name of 6-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol (CID 156879129) is 6-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol.
What is the SMILES notation for 6-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol?
The canonical SMILES for 6-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol is Cc1cc(-n2c(C3CCOCC3)cc3c(O)cc(F)cc32)ccc1F.
What is the InChIKey of 6-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol?
The InChIKey is NLJCATVTERCWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO2/c1-12-8-15(2-3-17(12)22)23-18(13-4-6-25-7-5-13)11-16-19(23)9-14(21)10-20(16)24/h2-3,8-11,13,24H,4-7H2,1H3.
What are the key properties of 6-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol?
6-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol has a molecular weight of 343.37 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol is sourced from PubChem (CID 156879129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).