2',5'-dimethyl-5-(trifluoromethyl)spiro[3H-indene-2,3'-indole]-1-one

C19H14F3NO — CID 172635569

IUPAC2',5'-dimethyl-5-(trifluoromethyl)spiro[3H-indene-2,3'-indole]-1-one
SMILESCC1=Nc2ccc(C)cc2C12Cc1cc(C(F)(F)F)ccc1C2=O
InChIInChI=1S/C19H14F3NO/c1-10-3-6-16-15(7-10)18(11(2)23-16)9-12-8-13(19(20,21)22)4-5-14(12)17(18)24/h3-8H,9H2,1-2H3
InChIKeyRVGVFAHVCXYXSV-UHFFFAOYSA-N
MW329.32 g/mol
LogP4.80
Rot. Bonds

About 2',5'-dimethyl-5-(trifluoromethyl)spiro[3H-indene-2,3'-indole]-1-one

2',5'-dimethyl-5-(trifluoromethyl)spiro[3H-indene-2,3'-indole]-1-one (PubChem CID 172635569) has the molecular formula C19H14F3NO and a molecular weight of 329.32 g/mol. Its IUPAC name is 2',5'-dimethyl-5-(trifluoromethyl)spiro[3H-indene-2,3'-indole]-1-one.

Molecular Properties

Compound Name2',5'-dimethyl-5-(trifluoromethyl)spiro[3H-indene-2,3'-indole]-1-one
PubChem CID172635569
Molecular FormulaC19H14F3NO
Molecular Weight329.32 g/mol
Exact Mass329.10
IUPAC Name2',5'-dimethyl-5-(trifluoromethyl)spiro[3H-indene-2,3'-indole]-1-one
SMILESCC1=Nc2ccc(C)cc2C12Cc1cc(C(F)(F)F)ccc1C2=O
InChIInChI=1S/C19H14F3NO/c1-10-3-6-16-15(7-10)18(11(2)23-16)9-12-8-13(19(20,21)22)4-5-14(12)17(18)24/h3-8H,9H2,1-2H3
InChIKeyRVGVFAHVCXYXSV-UHFFFAOYSA-N
XLogP4.80
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2',5'-dimethyl-5-(trifluoromethyl)spiro[3H-indene-2,3'-indole]-1-one?
The IUPAC name of 2',5'-dimethyl-5-(trifluoromethyl)spiro[3H-indene-2,3'-indole]-1-one (CID 172635569) is 2',5'-dimethyl-5-(trifluoromethyl)spiro[3H-indene-2,3'-indole]-1-one.
What is the SMILES notation for 2',5'-dimethyl-5-(trifluoromethyl)spiro[3H-indene-2,3'-indole]-1-one?
The canonical SMILES for 2',5'-dimethyl-5-(trifluoromethyl)spiro[3H-indene-2,3'-indole]-1-one is CC1=Nc2ccc(C)cc2C12Cc1cc(C(F)(F)F)ccc1C2=O.
What is the InChIKey of 2',5'-dimethyl-5-(trifluoromethyl)spiro[3H-indene-2,3'-indole]-1-one?
The InChIKey is RVGVFAHVCXYXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO/c1-10-3-6-16-15(7-10)18(11(2)23-16)9-12-8-13(19(20,21)22)4-5-14(12)17(18)24/h3-8H,9H2,1-2H3.
What are the key properties of 2',5'-dimethyl-5-(trifluoromethyl)spiro[3H-indene-2,3'-indole]-1-one?
2',5'-dimethyl-5-(trifluoromethyl)spiro[3H-indene-2,3'-indole]-1-one has a molecular weight of 329.32 g/mol, XLogP of 4.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',5'-dimethyl-5-(trifluoromethyl)spiro[3H-indene-2,3'-indole]-1-one is sourced from PubChem (CID 172635569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).