5-fluoro-6-methoxy-2,3,4,5-tetrahydroinden-1-one

C10H11FO2 — CID 140987151

IUPAC5-fluoro-6-methoxy-2,3,4,5-tetrahydroinden-1-one
SMILESCOC1=CC2=C(CCC2=O)CC1F
InChIInChI=1S/C10H11FO2/c1-13-10-5-7-6(4-8(10)11)2-3-9(7)12/h5,8H,2-4H2,1H3
InChIKeyHGHKJMSSEMSCNI-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.92
Rot. Bonds1

About 5-fluoro-6-methoxy-2,3,4,5-tetrahydroinden-1-one

5-fluoro-6-methoxy-2,3,4,5-tetrahydroinden-1-one (PubChem CID 140987151) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-2,3,4,5-tetrahydroinden-1-one.

Molecular Properties

Compound Name5-fluoro-6-methoxy-2,3,4,5-tetrahydroinden-1-one
PubChem CID140987151
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name5-fluoro-6-methoxy-2,3,4,5-tetrahydroinden-1-one
SMILESCOC1=CC2=C(CCC2=O)CC1F
InChIInChI=1S/C10H11FO2/c1-13-10-5-7-6(4-8(10)11)2-3-9(7)12/h5,8H,2-4H2,1H3
InChIKeyHGHKJMSSEMSCNI-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-3,4,5,8-tetrahydro-2H-naphthalen-1-one
CID 11805303
2-ethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one
CID 14950473
Cyclohexen-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone
CID 17785148
5-Methoxy-2,3,4,7-tetrahydroinden-1-one
CID 21849980
1-Hydroxy-2,3,6,7-tetrahydroinden-5-one
CID 68551655
1-(6,7-Dihydrocyclopenta[c]pyran-5-yl)propan-1-one
CID 70452226
7-Methoxy-2,3,4,5-tetrahydroinden-1-one
CID 140983016
5-Bromo-6-methoxy-2,3,4,5-tetrahydroinden-1-one
CID 140987147
6-Methoxy-2,3,4,5-tetrahydroinden-1-one
CID 140987148
6-Methoxy-2-methyl-2,3,4,5-tetrahydroinden-1-one
CID 141009852
6-Hydroxy-2,3,4,5-tetrahydroinden-1-one
CID 141010155
1-(4-Methoxycyclohexa-1,3-dien-1-yl)butan-1-one
CID 148216278

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-2,3,4,5-tetrahydroinden-1-one?
The IUPAC name of 5-fluoro-6-methoxy-2,3,4,5-tetrahydroinden-1-one (CID 140987151) is 5-fluoro-6-methoxy-2,3,4,5-tetrahydroinden-1-one.
What is the SMILES notation for 5-fluoro-6-methoxy-2,3,4,5-tetrahydroinden-1-one?
The canonical SMILES for 5-fluoro-6-methoxy-2,3,4,5-tetrahydroinden-1-one is COC1=CC2=C(CCC2=O)CC1F.
What is the InChIKey of 5-fluoro-6-methoxy-2,3,4,5-tetrahydroinden-1-one?
The InChIKey is HGHKJMSSEMSCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-13-10-5-7-6(4-8(10)11)2-3-9(7)12/h5,8H,2-4H2,1H3.
What are the key properties of 5-fluoro-6-methoxy-2,3,4,5-tetrahydroinden-1-one?
5-fluoro-6-methoxy-2,3,4,5-tetrahydroinden-1-one has a molecular weight of 182.19 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-2,3,4,5-tetrahydroinden-1-one is sourced from PubChem (CID 140987151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).