1-(2-fluorophenyl)-2-hydroxypropan-1-one

C9H9FO2 — CID 22624525

IUPAC1-(2-fluorophenyl)-2-hydroxypropan-1-one
SMILESCC(O)C(=O)c1ccccc1F
InChIInChI=1S/C9H9FO2/c1-6(11)9(12)7-4-2-3-5-8(7)10/h2-6,11H,1H3
InChIKeyARCUIEFXWVXXPS-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.39
Rot. Bonds2

About 1-(2-fluorophenyl)-2-hydroxypropan-1-one

1-(2-fluorophenyl)-2-hydroxypropan-1-one (PubChem CID 22624525) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-hydroxypropan-1-one
PubChem CID22624525
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name1-(2-fluorophenyl)-2-hydroxypropan-1-one
SMILESCC(O)C(=O)c1ccccc1F
InChIInChI=1S/C9H9FO2/c1-6(11)9(12)7-4-2-3-5-8(7)10/h2-6,11H,1H3
InChIKeyARCUIEFXWVXXPS-UHFFFAOYSA-N
XLogP1.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzoin
CID 8400
Phenylglyoxylic Acid
CID 11915
1-Hydroxycyclohexyl phenyl ketone
CID 70355
2-Hydroxy-2-methyl-1-phenylpropan-1-one
CID 81984
alpha-Hydroxyacetophenone
CID 68490
3-Hydroxy-4-phenylbutan-2-one
CID 6428929
Methyl phenylglyoxalate
CID 84835
Ethanone, 1-phenyl-, dihydroxy deriv.
CID 99611
Ethyl benzoylformate
CID 15349
2-Methoxy-1-phenylethanone
CID 77698
Ethanone, 2-(acetyloxy)-1-phenyl-
CID 222851
2-Hydroxy-1-phenyl-1-propanone
CID 101121

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-hydroxypropan-1-one?
The IUPAC name of 1-(2-fluorophenyl)-2-hydroxypropan-1-one (CID 22624525) is 1-(2-fluorophenyl)-2-hydroxypropan-1-one.
What is the SMILES notation for 1-(2-fluorophenyl)-2-hydroxypropan-1-one?
The canonical SMILES for 1-(2-fluorophenyl)-2-hydroxypropan-1-one is CC(O)C(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-hydroxypropan-1-one?
The InChIKey is ARCUIEFXWVXXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-6(11)9(12)7-4-2-3-5-8(7)10/h2-6,11H,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-hydroxypropan-1-one?
1-(2-fluorophenyl)-2-hydroxypropan-1-one has a molecular weight of 168.17 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-hydroxypropan-1-one is sourced from PubChem (CID 22624525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).