2-fluoro-2,3,3a,4-tetrahydroinden-1-one

C9H9FO — CID 151740601

IUPAC2-fluoro-2,3,3a,4-tetrahydroinden-1-one
SMILESO=C1C2=CC=CCC2CC1F
InChIInChI=1S/C9H9FO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-2,4,6,8H,3,5H2
InChIKeyRMLDXSYBSZRECO-UHFFFAOYSA-N
MW152.17 g/mol
LogP1.80
Rot. Bonds

About 2-fluoro-2,3,3a,4-tetrahydroinden-1-one

2-fluoro-2,3,3a,4-tetrahydroinden-1-one (PubChem CID 151740601) has the molecular formula C9H9FO and a molecular weight of 152.17 g/mol. Its IUPAC name is 2-fluoro-2,3,3a,4-tetrahydroinden-1-one.

Molecular Properties

Compound Name2-fluoro-2,3,3a,4-tetrahydroinden-1-one
PubChem CID151740601
Molecular FormulaC9H9FO
Molecular Weight152.17 g/mol
Exact Mass152.06
IUPAC Name2-fluoro-2,3,3a,4-tetrahydroinden-1-one
SMILESO=C1C2=CC=CCC2CC1F
InChIInChI=1S/C9H9FO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-2,4,6,8H,3,5H2
InChIKeyRMLDXSYBSZRECO-UHFFFAOYSA-N
XLogP1.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,3,3a,4-tetrahydroinden-1-one?
The IUPAC name of 2-fluoro-2,3,3a,4-tetrahydroinden-1-one (CID 151740601) is 2-fluoro-2,3,3a,4-tetrahydroinden-1-one.
What is the SMILES notation for 2-fluoro-2,3,3a,4-tetrahydroinden-1-one?
The canonical SMILES for 2-fluoro-2,3,3a,4-tetrahydroinden-1-one is O=C1C2=CC=CCC2CC1F.
What is the InChIKey of 2-fluoro-2,3,3a,4-tetrahydroinden-1-one?
The InChIKey is RMLDXSYBSZRECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-2,4,6,8H,3,5H2.
What are the key properties of 2-fluoro-2,3,3a,4-tetrahydroinden-1-one?
2-fluoro-2,3,3a,4-tetrahydroinden-1-one has a molecular weight of 152.17 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,3,3a,4-tetrahydroinden-1-one is sourced from PubChem (CID 151740601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).