3-(2-methylpentyl)-7-(trifluoromethyl)-1,3-dihydroindol-2-one

C15H18F3NO — CID 106986976

IUPAC3-(2-methylpentyl)-7-(trifluoromethyl)-1,3-dihydroindol-2-one
SMILESCCCC(C)CC1C(=O)Nc2c1cccc2C(F)(F)F
InChIInChI=1S/C15H18F3NO/c1-3-5-9(2)8-11-10-6-4-7-12(15(16,17)18)13(10)19-14(11)20/h4,6-7,9,11H,3,5,8H2,1-2H3,(H,19,20)
InChIKeyCZXWOBSZRVNQGC-UHFFFAOYSA-N
MW285.31 g/mol
LogP4.57
Rot. Bonds4

About 3-(2-methylpentyl)-7-(trifluoromethyl)-1,3-dihydroindol-2-one

3-(2-methylpentyl)-7-(trifluoromethyl)-1,3-dihydroindol-2-one (PubChem CID 106986976) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-(2-methylpentyl)-7-(trifluoromethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2-methylpentyl)-7-(trifluoromethyl)-1,3-dihydroindol-2-one
PubChem CID106986976
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name3-(2-methylpentyl)-7-(trifluoromethyl)-1,3-dihydroindol-2-one
SMILESCCCC(C)CC1C(=O)Nc2c1cccc2C(F)(F)F
InChIInChI=1S/C15H18F3NO/c1-3-5-9(2)8-11-10-6-4-7-12(15(16,17)18)13(10)19-14(11)20/h4,6-7,9,11H,3,5,8H2,1-2H3,(H,19,20)
InChIKeyCZXWOBSZRVNQGC-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-methylpentyl)-1,3-dihydroindol-2-one
CID 106986975
3-amino-7-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 53211527
(3aR,9bS)-6-(trifluoromethyl)-1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one
CID 11551052
N-[2-oxo-7-(trifluoromethyl)-1,3-dihydroindol-3-yl]acetamide
CID 2966431
(3aR,9bR)-2-benzyl-6-(trifluoromethyl)-3,3a,5,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one
CID 11560014
(3aS,9bS)-2-benzyl-6-(trifluoromethyl)-3,3a,5,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one
CID 69059901
(3R)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 166821092
7-fluoro-3-octyl-1,3-dihydroindol-2-one
CID 106820157
2-chloro-N-(2-methylpentyl)-6-(trifluoromethyl)aniline
CID 43121811
3-pentan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83237657
3,4-dimethyl-8-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
CID 115095537
3-butyl-3-ethyl-7-(trifluoromethyl)-1H-indol-2-one
CID 106702215

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentyl)-7-(trifluoromethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2-methylpentyl)-7-(trifluoromethyl)-1,3-dihydroindol-2-one (CID 106986976) is 3-(2-methylpentyl)-7-(trifluoromethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2-methylpentyl)-7-(trifluoromethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2-methylpentyl)-7-(trifluoromethyl)-1,3-dihydroindol-2-one is CCCC(C)CC1C(=O)Nc2c1cccc2C(F)(F)F.
What is the InChIKey of 3-(2-methylpentyl)-7-(trifluoromethyl)-1,3-dihydroindol-2-one?
The InChIKey is CZXWOBSZRVNQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-3-5-9(2)8-11-10-6-4-7-12(15(16,17)18)13(10)19-14(11)20/h4,6-7,9,11H,3,5,8H2,1-2H3,(H,19,20).
What are the key properties of 3-(2-methylpentyl)-7-(trifluoromethyl)-1,3-dihydroindol-2-one?
3-(2-methylpentyl)-7-(trifluoromethyl)-1,3-dihydroindol-2-one has a molecular weight of 285.31 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentyl)-7-(trifluoromethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106986976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).