(6-fluoro-2H-chromen-3-yl)-(6-fluoro-3,3-dimethyl-2H-indol-1-yl)methanone

C20H17F2NO2 — CID 166272820

IUPAC(6-fluoro-2H-chromen-3-yl)-(6-fluoro-3,3-dimethyl-2H-indol-1-yl)methanone
SMILESCC1(C)CN(C(=O)C2=Cc3cc(F)ccc3OC2)c2cc(F)ccc21
InChIInChI=1S/C20H17F2NO2/c1-20(2)11-23(17-9-15(22)3-5-16(17)20)19(24)13-7-12-8-14(21)4-6-18(12)25-10-13/h3-9H,10-11H2,1-2H3
InChIKeyRCXFUBWJMHYANB-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.07
Rot. Bonds1

About (6-fluoro-2H-chromen-3-yl)-(6-fluoro-3,3-dimethyl-2H-indol-1-yl)methanone

(6-fluoro-2H-chromen-3-yl)-(6-fluoro-3,3-dimethyl-2H-indol-1-yl)methanone (PubChem CID 166272820) has the molecular formula C20H17F2NO2 and a molecular weight of 341.36 g/mol. Its IUPAC name is (6-fluoro-2H-chromen-3-yl)-(6-fluoro-3,3-dimethyl-2H-indol-1-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-2H-chromen-3-yl)-(6-fluoro-3,3-dimethyl-2H-indol-1-yl)methanone
PubChem CID166272820
Molecular FormulaC20H17F2NO2
Molecular Weight341.36 g/mol
Exact Mass341.12
IUPAC Name(6-fluoro-2H-chromen-3-yl)-(6-fluoro-3,3-dimethyl-2H-indol-1-yl)methanone
SMILESCC1(C)CN(C(=O)C2=Cc3cc(F)ccc3OC2)c2cc(F)ccc21
InChIInChI=1S/C20H17F2NO2/c1-20(2)11-23(17-9-15(22)3-5-16(17)20)19(24)13-7-12-8-14(21)4-6-18(12)25-10-13/h3-9H,10-11H2,1-2H3
InChIKeyRCXFUBWJMHYANB-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2H-chromen-3-yl)-(6-fluoro-3,3-dimethyl-2H-indol-1-yl)methanone?
The IUPAC name of (6-fluoro-2H-chromen-3-yl)-(6-fluoro-3,3-dimethyl-2H-indol-1-yl)methanone (CID 166272820) is (6-fluoro-2H-chromen-3-yl)-(6-fluoro-3,3-dimethyl-2H-indol-1-yl)methanone.
What is the SMILES notation for (6-fluoro-2H-chromen-3-yl)-(6-fluoro-3,3-dimethyl-2H-indol-1-yl)methanone?
The canonical SMILES for (6-fluoro-2H-chromen-3-yl)-(6-fluoro-3,3-dimethyl-2H-indol-1-yl)methanone is CC1(C)CN(C(=O)C2=Cc3cc(F)ccc3OC2)c2cc(F)ccc21.
What is the InChIKey of (6-fluoro-2H-chromen-3-yl)-(6-fluoro-3,3-dimethyl-2H-indol-1-yl)methanone?
The InChIKey is RCXFUBWJMHYANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO2/c1-20(2)11-23(17-9-15(22)3-5-16(17)20)19(24)13-7-12-8-14(21)4-6-18(12)25-10-13/h3-9H,10-11H2,1-2H3.
What are the key properties of (6-fluoro-2H-chromen-3-yl)-(6-fluoro-3,3-dimethyl-2H-indol-1-yl)methanone?
(6-fluoro-2H-chromen-3-yl)-(6-fluoro-3,3-dimethyl-2H-indol-1-yl)methanone has a molecular weight of 341.36 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2H-chromen-3-yl)-(6-fluoro-3,3-dimethyl-2H-indol-1-yl)methanone is sourced from PubChem (CID 166272820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).