6-bromo-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one

C10H11BrFNO — CID 141394981

IUPAC6-bromo-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one
SMILESCC1(C)C(=O)NC2=CC(Br)=C(F)CC21
InChIInChI=1S/C10H11BrFNO/c1-10(2)5-3-7(12)6(11)4-8(5)13-9(10)14/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyVQGZYKKFRBDFBW-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.62
Rot. Bonds

About 6-bromo-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one

6-bromo-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one (PubChem CID 141394981) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 6-bromo-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one.

Molecular Properties

Compound Name6-bromo-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one
PubChem CID141394981
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name6-bromo-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one
SMILESCC1(C)C(=O)NC2=CC(Br)=C(F)CC21
InChIInChI=1S/C10H11BrFNO/c1-10(2)5-3-7(12)6(11)4-8(5)13-9(10)14/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyVQGZYKKFRBDFBW-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one?
The IUPAC name of 6-bromo-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one (CID 141394981) is 6-bromo-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one.
What is the SMILES notation for 6-bromo-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one?
The canonical SMILES for 6-bromo-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one is CC1(C)C(=O)NC2=CC(Br)=C(F)CC21.
What is the InChIKey of 6-bromo-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one?
The InChIKey is VQGZYKKFRBDFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-10(2)5-3-7(12)6(11)4-8(5)13-9(10)14/h4-5H,3H2,1-2H3,(H,13,14).
What are the key properties of 6-bromo-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one?
6-bromo-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one has a molecular weight of 260.11 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one is sourced from PubChem (CID 141394981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).