5-chloro-3-(2,2-difluoropropyl)-1,3-dimethylindol-2-one

C13H14ClF2NO — CID 175686987

IUPAC5-chloro-3-(2,2-difluoropropyl)-1,3-dimethylindol-2-one
SMILESCN1C(=O)C(C)(CC(C)(F)F)c2cc(Cl)ccc21
InChIInChI=1S/C13H14ClF2NO/c1-12(7-13(2,15)16)9-6-8(14)4-5-10(9)17(3)11(12)18/h4-6H,7H2,1-3H3
InChIKeyLWAKLKWQIZQVFO-UHFFFAOYSA-N
MW273.71 g/mol
LogP3.62
Rot. Bonds2

About 5-chloro-3-(2,2-difluoropropyl)-1,3-dimethylindol-2-one

5-chloro-3-(2,2-difluoropropyl)-1,3-dimethylindol-2-one (PubChem CID 175686987) has the molecular formula C13H14ClF2NO and a molecular weight of 273.71 g/mol. Its IUPAC name is 5-chloro-3-(2,2-difluoropropyl)-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(2,2-difluoropropyl)-1,3-dimethylindol-2-one
PubChem CID175686987
Molecular FormulaC13H14ClF2NO
Molecular Weight273.71 g/mol
Exact Mass273.07
IUPAC Name5-chloro-3-(2,2-difluoropropyl)-1,3-dimethylindol-2-one
SMILESCN1C(=O)C(C)(CC(C)(F)F)c2cc(Cl)ccc21
InChIInChI=1S/C13H14ClF2NO/c1-12(7-13(2,15)16)9-6-8(14)4-5-10(9)17(3)11(12)18/h4-6H,7H2,1-3H3
InChIKeyLWAKLKWQIZQVFO-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.71
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2,2-difluoropropyl)-1,3-dimethylindol-2-one?
The IUPAC name of 5-chloro-3-(2,2-difluoropropyl)-1,3-dimethylindol-2-one (CID 175686987) is 5-chloro-3-(2,2-difluoropropyl)-1,3-dimethylindol-2-one.
What is the SMILES notation for 5-chloro-3-(2,2-difluoropropyl)-1,3-dimethylindol-2-one?
The canonical SMILES for 5-chloro-3-(2,2-difluoropropyl)-1,3-dimethylindol-2-one is CN1C(=O)C(C)(CC(C)(F)F)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-3-(2,2-difluoropropyl)-1,3-dimethylindol-2-one?
The InChIKey is LWAKLKWQIZQVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2NO/c1-12(7-13(2,15)16)9-6-8(14)4-5-10(9)17(3)11(12)18/h4-6H,7H2,1-3H3.
What are the key properties of 5-chloro-3-(2,2-difluoropropyl)-1,3-dimethylindol-2-one?
5-chloro-3-(2,2-difluoropropyl)-1,3-dimethylindol-2-one has a molecular weight of 273.71 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,2-difluoropropyl)-1,3-dimethylindol-2-one is sourced from PubChem (CID 175686987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).