3-fluoro-4-hydroxy-1-phenylbutan-2-one

C10H11FO2 — CID 141355894

IUPAC3-fluoro-4-hydroxy-1-phenylbutan-2-one
SMILESO=C(Cc1ccccc1)C(F)CO
InChIInChI=1S/C10H11FO2/c11-9(7-12)10(13)6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2
InChIKeyICPMNJQTGCYMGL-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.13
Rot. Bonds4

About 3-fluoro-4-hydroxy-1-phenylbutan-2-one

3-fluoro-4-hydroxy-1-phenylbutan-2-one (PubChem CID 141355894) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 3-fluoro-4-hydroxy-1-phenylbutan-2-one.

Molecular Properties

Compound Name3-fluoro-4-hydroxy-1-phenylbutan-2-one
PubChem CID141355894
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name3-fluoro-4-hydroxy-1-phenylbutan-2-one
SMILESO=C(Cc1ccccc1)C(F)CO
InChIInChI=1S/C10H11FO2/c11-9(7-12)10(13)6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2
InChIKeyICPMNJQTGCYMGL-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-1-phenyloctan-2-one
CID 14645308
benzyl 2-(18F)fluoro-3-hydroxypropanoate
CID 153425046
2-fluoro-3-hydroxy-1-phenylpropan-1-one
CID 45080752
2-hydroxy-3-oxo-4-phenylbutanoic acid
CID 151330520
hydroxy-dioxido-(2-phenylacetyl)phosphanium
CID 136773120
3-amino-1,4-diphenylbutan-2-one
CID 20792391
(3S,6R)-1,3,6,8-tetraphenyloctane-2,4,5,7-tetrone
CID 124578428
1,3-diphenyl(213C)propan-2-one
CID 100945080
2-nitro-3-oxo-4-phenylbutanenitrile
CID 170923353
3-(methylamino)-1-phenylbutan-2-one
CID 116564854
2-phenylacetic acid;dihydrate
CID 168967514
2-phenylacetic acid;silver
CID 50912513

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-hydroxy-1-phenylbutan-2-one?
The IUPAC name of 3-fluoro-4-hydroxy-1-phenylbutan-2-one (CID 141355894) is 3-fluoro-4-hydroxy-1-phenylbutan-2-one.
What is the SMILES notation for 3-fluoro-4-hydroxy-1-phenylbutan-2-one?
The canonical SMILES for 3-fluoro-4-hydroxy-1-phenylbutan-2-one is O=C(Cc1ccccc1)C(F)CO.
What is the InChIKey of 3-fluoro-4-hydroxy-1-phenylbutan-2-one?
The InChIKey is ICPMNJQTGCYMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c11-9(7-12)10(13)6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2.
What are the key properties of 3-fluoro-4-hydroxy-1-phenylbutan-2-one?
3-fluoro-4-hydroxy-1-phenylbutan-2-one has a molecular weight of 182.19 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-hydroxy-1-phenylbutan-2-one is sourced from PubChem (CID 141355894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).