(6',7'-difluoro-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-yl)-phenylmethanone

C25H19F2NO2 — CID 165164680

IUPAC(6',7'-difluoro-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-yl)-phenylmethanone
SMILESCC1(C)c2cc(C(=O)c3ccccc3)ccc2NC12C=Cc1cc(F)c(F)cc1O2
InChIInChI=1S/C25H19F2NO2/c1-24(2)18-12-17(23(29)15-6-4-3-5-7-15)8-9-21(18)28-25(24)11-10-16-13-19(26)20(27)14-22(16)30-25/h3-14,28H,1-2H3
InChIKeyRQHUKEWREMKYCQ-UHFFFAOYSA-N
MW403.43 g/mol
LogP5.70
Rot. Bonds2

About (6',7'-difluoro-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-yl)-phenylmethanone

(6',7'-difluoro-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-yl)-phenylmethanone (PubChem CID 165164680) has the molecular formula C25H19F2NO2 and a molecular weight of 403.43 g/mol. Its IUPAC name is (6',7'-difluoro-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(6',7'-difluoro-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-yl)-phenylmethanone
PubChem CID165164680
Molecular FormulaC25H19F2NO2
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Name(6',7'-difluoro-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-yl)-phenylmethanone
SMILESCC1(C)c2cc(C(=O)c3ccccc3)ccc2NC12C=Cc1cc(F)c(F)cc1O2
InChIInChI=1S/C25H19F2NO2/c1-24(2)18-12-17(23(29)15-6-4-3-5-7-15)8-9-21(18)28-25(24)11-10-16-13-19(26)20(27)14-22(16)30-25/h3-14,28H,1-2H3
InChIKeyRQHUKEWREMKYCQ-UHFFFAOYSA-N
XLogP5.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.43
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6',7'-difluoro-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-yl)-phenylmethanone?
The IUPAC name of (6',7'-difluoro-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-yl)-phenylmethanone (CID 165164680) is (6',7'-difluoro-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-yl)-phenylmethanone.
What is the SMILES notation for (6',7'-difluoro-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-yl)-phenylmethanone?
The canonical SMILES for (6',7'-difluoro-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-yl)-phenylmethanone is CC1(C)c2cc(C(=O)c3ccccc3)ccc2NC12C=Cc1cc(F)c(F)cc1O2.
What is the InChIKey of (6',7'-difluoro-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-yl)-phenylmethanone?
The InChIKey is RQHUKEWREMKYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2NO2/c1-24(2)18-12-17(23(29)15-6-4-3-5-7-15)8-9-21(18)28-25(24)11-10-16-13-19(26)20(27)14-22(16)30-25/h3-14,28H,1-2H3.
What are the key properties of (6',7'-difluoro-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-yl)-phenylmethanone?
(6',7'-difluoro-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-yl)-phenylmethanone has a molecular weight of 403.43 g/mol, XLogP of 5.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6',7'-difluoro-3,3-dimethylspiro[1H-indole-2,2'-chromene]-5-yl)-phenylmethanone is sourced from PubChem (CID 165164680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).