6-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one

C10H9FO2 — CID 174821634

IUPAC6-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one
SMILESO=C1CC(CO)c2ccc(F)cc21
InChIInChI=1S/C10H9FO2/c11-7-1-2-8-6(5-12)3-10(13)9(8)4-7/h1-2,4,6,12H,3,5H2
InChIKeyKPEBHWCKHVOLKP-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.49
Rot. Bonds1

About 6-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one

6-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one (PubChem CID 174821634) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 6-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one
PubChem CID174821634
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name6-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one
SMILESO=C1CC(CO)c2ccc(F)cc21
InChIInChI=1S/C10H9FO2/c11-7-1-2-8-6(5-12)3-10(13)9(8)4-7/h1-2,4,6,12H,3,5H2
InChIKeyKPEBHWCKHVOLKP-UHFFFAOYSA-N
XLogP1.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 55265005
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CID 82505065
4-ethyl-7-fluoro-3,4-dihydro-2H-isoquinolin-1-one
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(9R,10R)-3,6-difluoro-9,10-dihydrophenanthrene-9,10-diol
CID 23635452
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol
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4-(aminomethyl)-2-ethyl-7-fluoro-3,4-dihydroisoquinolin-1-one
CID 82127868
(2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid
CID 10130516
(2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one
CID 7016138
2-(6-fluoro-3-methyl-2,3-dihydro-1H-inden-1-yl)ethanol
CID 82075944
3-ethyl-5-fluoro-1-methyl-2,3-dihydro-1H-indene
CID 126625151
3-(bromomethyl)-2,3-dihydroinden-1-one
CID 10799200
2-(5-ethyl-3-oxo-1,2-dihydroinden-1-yl)-N,N-dimethylacetamide
CID 82159443

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 6-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one (CID 174821634) is 6-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 6-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one is O=C1CC(CO)c2ccc(F)cc21.
What is the InChIKey of 6-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one?
The InChIKey is KPEBHWCKHVOLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c11-7-1-2-8-6(5-12)3-10(13)9(8)4-7/h1-2,4,6,12H,3,5H2.
What are the key properties of 6-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one?
6-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one has a molecular weight of 180.18 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 174821634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).