5-chloro-6-fluoro-3,3-dimethyl-1H-indol-2-one

C10H9ClFNO — CID 103996520

IUPAC5-chloro-6-fluoro-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(F)c(Cl)cc21
InChIInChI=1S/C10H9ClFNO/c1-10(2)5-3-6(11)7(12)4-8(5)13-9(10)14/h3-4H,1-2H3,(H,13,14)
InChIKeyCTGKDXDUNSPJNC-UHFFFAOYSA-N
MW213.64 g/mol
LogP2.71
Rot. Bonds

About 5-chloro-6-fluoro-3,3-dimethyl-1H-indol-2-one

5-chloro-6-fluoro-3,3-dimethyl-1H-indol-2-one (PubChem CID 103996520) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is 5-chloro-6-fluoro-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-6-fluoro-3,3-dimethyl-1H-indol-2-one
PubChem CID103996520
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name5-chloro-6-fluoro-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(F)c(Cl)cc21
InChIInChI=1S/C10H9ClFNO/c1-10(2)5-3-6(11)7(12)4-8(5)13-9(10)14/h3-4H,1-2H3,(H,13,14)
InChIKeyCTGKDXDUNSPJNC-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-5-fluoro-3,3-dimethyl-1H-indol-2-one
CID 163423174
6-chloro-3,3-dimethyl-1H-indol-2-one
CID 58398957
5,6-dichloro-7-fluoro-3,3-dimethyl-1H-indol-2-one
CID 167203366
5,6-bis(2-aminoethyl)-3,3-dimethyl-1H-indol-2-one
CID 90864902
6-chloro-7-fluoro-3,3-dimethyl-1H-indol-2-one
CID 80500965
7-chloro-6-fluorospiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
CID 79296117
4,5-difluoro-3,3-dimethyl-1H-indol-2-one
CID 58386652
(3S,4'R)-6-chloro-4'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 143648276
4-chloro-3,3-dimethyl-1H-indol-2-one
CID 53402598
6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one
CID 114089772
N-(2,6-difluorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384568
6-chloro-3,3-difluoro-1H-indol-2-one
CID 58398958

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-chloro-6-fluoro-3,3-dimethyl-1H-indol-2-one (CID 103996520) is 5-chloro-6-fluoro-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-chloro-6-fluoro-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-chloro-6-fluoro-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2cc(F)c(Cl)cc21.
What is the InChIKey of 5-chloro-6-fluoro-3,3-dimethyl-1H-indol-2-one?
The InChIKey is CTGKDXDUNSPJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO/c1-10(2)5-3-6(11)7(12)4-8(5)13-9(10)14/h3-4H,1-2H3,(H,13,14).
What are the key properties of 5-chloro-6-fluoro-3,3-dimethyl-1H-indol-2-one?
5-chloro-6-fluoro-3,3-dimethyl-1H-indol-2-one has a molecular weight of 213.64 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 103996520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).