3-(4,4-dimethylcyclohexyl)-5,7-difluoro-1,3-dihydroindol-2-one

C16H19F2NO — CID 106986942

IUPAC3-(4,4-dimethylcyclohexyl)-5,7-difluoro-1,3-dihydroindol-2-one
SMILESCC1(C)CCC(C2C(=O)Nc3c(F)cc(F)cc32)CC1
InChIInChI=1S/C16H19F2NO/c1-16(2)5-3-9(4-6-16)13-11-7-10(17)8-12(18)14(11)19-15(13)20/h7-9,13H,3-6H2,1-2H3,(H,19,20)
InChIKeyUMHXVVVGICMFDA-UHFFFAOYSA-N
MW279.33 g/mol
LogP4.22
Rot. Bonds1

About 3-(4,4-dimethylcyclohexyl)-5,7-difluoro-1,3-dihydroindol-2-one

3-(4,4-dimethylcyclohexyl)-5,7-difluoro-1,3-dihydroindol-2-one (PubChem CID 106986942) has the molecular formula C16H19F2NO and a molecular weight of 279.33 g/mol. Its IUPAC name is 3-(4,4-dimethylcyclohexyl)-5,7-difluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(4,4-dimethylcyclohexyl)-5,7-difluoro-1,3-dihydroindol-2-one
PubChem CID106986942
Molecular FormulaC16H19F2NO
Molecular Weight279.33 g/mol
Exact Mass279.14
IUPAC Name3-(4,4-dimethylcyclohexyl)-5,7-difluoro-1,3-dihydroindol-2-one
SMILESCC1(C)CCC(C2C(=O)Nc3c(F)cc(F)cc32)CC1
InChIInChI=1S/C16H19F2NO/c1-16(2)5-3-9(4-6-16)13-11-7-10(17)8-12(18)14(11)19-15(13)20/h7-9,13H,3-6H2,1-2H3,(H,19,20)
InChIKeyUMHXVVVGICMFDA-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylcyclohexyl)-5,7-difluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-(4,4-dimethylcyclohexyl)-5,7-difluoro-1,3-dihydroindol-2-one (CID 106986942) is 3-(4,4-dimethylcyclohexyl)-5,7-difluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(4,4-dimethylcyclohexyl)-5,7-difluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(4,4-dimethylcyclohexyl)-5,7-difluoro-1,3-dihydroindol-2-one is CC1(C)CCC(C2C(=O)Nc3c(F)cc(F)cc32)CC1.
What is the InChIKey of 3-(4,4-dimethylcyclohexyl)-5,7-difluoro-1,3-dihydroindol-2-one?
The InChIKey is UMHXVVVGICMFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO/c1-16(2)5-3-9(4-6-16)13-11-7-10(17)8-12(18)14(11)19-15(13)20/h7-9,13H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 3-(4,4-dimethylcyclohexyl)-5,7-difluoro-1,3-dihydroindol-2-one?
3-(4,4-dimethylcyclohexyl)-5,7-difluoro-1,3-dihydroindol-2-one has a molecular weight of 279.33 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylcyclohexyl)-5,7-difluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 106986942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).