6-fluoro-1-propan-2-yl-3H-indol-2-one

C11H12FNO — CID 117206076

IUPAC6-fluoro-1-propan-2-yl-3H-indol-2-one
SMILESCC(C)N1C(=O)Cc2ccc(F)cc21
InChIInChI=1S/C11H12FNO/c1-7(2)13-10-6-9(12)4-3-8(10)5-11(13)14/h3-4,6-7H,5H2,1-2H3
InChIKeyHWQJDAISTMRSID-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.12
Rot. Bonds1

About 6-fluoro-1-propan-2-yl-3H-indol-2-one

6-fluoro-1-propan-2-yl-3H-indol-2-one (PubChem CID 117206076) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 6-fluoro-1-propan-2-yl-3H-indol-2-one.

Molecular Properties

Compound Name6-fluoro-1-propan-2-yl-3H-indol-2-one
PubChem CID117206076
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name6-fluoro-1-propan-2-yl-3H-indol-2-one
SMILESCC(C)N1C(=O)Cc2ccc(F)cc21
InChIInChI=1S/C11H12FNO/c1-7(2)13-10-6-9(12)4-3-8(10)5-11(13)14/h3-4,6-7H,5H2,1-2H3
InChIKeyHWQJDAISTMRSID-UHFFFAOYSA-N
XLogP2.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-propan-2-yl-3H-indol-2-one?
The IUPAC name of 6-fluoro-1-propan-2-yl-3H-indol-2-one (CID 117206076) is 6-fluoro-1-propan-2-yl-3H-indol-2-one.
What is the SMILES notation for 6-fluoro-1-propan-2-yl-3H-indol-2-one?
The canonical SMILES for 6-fluoro-1-propan-2-yl-3H-indol-2-one is CC(C)N1C(=O)Cc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-propan-2-yl-3H-indol-2-one?
The InChIKey is HWQJDAISTMRSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-7(2)13-10-6-9(12)4-3-8(10)5-11(13)14/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 6-fluoro-1-propan-2-yl-3H-indol-2-one?
6-fluoro-1-propan-2-yl-3H-indol-2-one has a molecular weight of 193.22 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-propan-2-yl-3H-indol-2-one is sourced from PubChem (CID 117206076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).