6-chloro-7-fluoro-3,3-dimethyl-1H-indol-2-one

C10H9ClFNO — CID 80500965

IUPAC6-chloro-7-fluoro-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2c1ccc(Cl)c2F
InChIInChI=1S/C10H9ClFNO/c1-10(2)5-3-4-6(11)7(12)8(5)13-9(10)14/h3-4H,1-2H3,(H,13,14)
InChIKeyDBGZKCCEDZYXSJ-UHFFFAOYSA-N
MW213.64 g/mol
LogP2.71
Rot. Bonds

About 6-chloro-7-fluoro-3,3-dimethyl-1H-indol-2-one

6-chloro-7-fluoro-3,3-dimethyl-1H-indol-2-one (PubChem CID 80500965) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is 6-chloro-7-fluoro-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name6-chloro-7-fluoro-3,3-dimethyl-1H-indol-2-one
PubChem CID80500965
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name6-chloro-7-fluoro-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2c1ccc(Cl)c2F
InChIInChI=1S/C10H9ClFNO/c1-10(2)5-3-4-6(11)7(12)8(5)13-9(10)14/h3-4H,1-2H3,(H,13,14)
InChIKeyDBGZKCCEDZYXSJ-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 6-chloro-7-fluoro-3,3-dimethyl-1H-indol-2-one (CID 80500965) is 6-chloro-7-fluoro-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 6-chloro-7-fluoro-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 6-chloro-7-fluoro-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2c1ccc(Cl)c2F.
What is the InChIKey of 6-chloro-7-fluoro-3,3-dimethyl-1H-indol-2-one?
The InChIKey is DBGZKCCEDZYXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO/c1-10(2)5-3-4-6(11)7(12)8(5)13-9(10)14/h3-4H,1-2H3,(H,13,14).
What are the key properties of 6-chloro-7-fluoro-3,3-dimethyl-1H-indol-2-one?
6-chloro-7-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 6-chloro-7-fluoro-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 80500965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).