1-(3-fluorophenyl)-2,2-dihydroxyethanone

C8H7FO3 — CID 55282672

IUPAC1-(3-fluorophenyl)-2,2-dihydroxyethanone
SMILESO=C(c1cccc(F)c1)C(O)O
InChIInChI=1S/C8H7FO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,8,11-12H
InChIKeyZMUZKTHKXHEDHL-UHFFFAOYSA-N
MW170.14 g/mol
LogP0.32
Rot. Bonds2

About 1-(3-fluorophenyl)-2,2-dihydroxyethanone

1-(3-fluorophenyl)-2,2-dihydroxyethanone (PubChem CID 55282672) has the molecular formula C8H7FO3 and a molecular weight of 170.14 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2,2-dihydroxyethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2,2-dihydroxyethanone
PubChem CID55282672
Molecular FormulaC8H7FO3
Molecular Weight170.14 g/mol
Exact Mass170.04
IUPAC Name1-(3-fluorophenyl)-2,2-dihydroxyethanone
SMILESO=C(c1cccc(F)c1)C(O)O
InChIInChI=1S/C8H7FO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,8,11-12H
InChIKeyZMUZKTHKXHEDHL-UHFFFAOYSA-N
XLogP0.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-chloro-1-(3-fluorophenyl)ethanone
CID 19068512
2-chloro-1,2-bis(3-fluorophenyl)ethanone
CID 21408832
3-fluorobenzoyl bromide
CID 20822510
methyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate
CID 102028983
bismuth tris(3-fluorobenzoate)
CID 132504465
2-(ethylamino)-1-(3-fluorophenyl)propan-1-one
CID 91696120
1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586938
(3R)-4-(3-fluorophenyl)-3-methyl-4-oxobutanenitrile
CID 94173994
3-fluoro-N-hydroxybenzamide
CID 5082377
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
3-fluoro-N'-sulfanylbenzohydrazide
CID 174650395

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2,2-dihydroxyethanone?
The IUPAC name of 1-(3-fluorophenyl)-2,2-dihydroxyethanone (CID 55282672) is 1-(3-fluorophenyl)-2,2-dihydroxyethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2,2-dihydroxyethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2,2-dihydroxyethanone is O=C(c1cccc(F)c1)C(O)O.
What is the InChIKey of 1-(3-fluorophenyl)-2,2-dihydroxyethanone?
The InChIKey is ZMUZKTHKXHEDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,8,11-12H.
What are the key properties of 1-(3-fluorophenyl)-2,2-dihydroxyethanone?
1-(3-fluorophenyl)-2,2-dihydroxyethanone has a molecular weight of 170.14 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2,2-dihydroxyethanone is sourced from PubChem (CID 55282672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).