1-(2-fluorophenyl)-2-hydroxybutan-1-one

C10H11FO2 — CID 103453135

IUPAC1-(2-fluorophenyl)-2-hydroxybutan-1-one
SMILESCCC(O)C(=O)c1ccccc1F
InChIInChI=1S/C10H11FO2/c1-2-9(12)10(13)7-5-3-4-6-8(7)11/h3-6,9,12H,2H2,1H3
InChIKeyNCHYZDQDUDGNKB-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.78
Rot. Bonds3

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

1-(2-fluorophenyl)-2-hydroxybutan-1-one (PubChem CID 103453135) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-hydroxybutan-1-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-hydroxybutan-1-one
PubChem CID103453135
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name1-(2-fluorophenyl)-2-hydroxybutan-1-one
SMILESCCC(O)C(=O)c1ccccc1F
InChIInChI=1S/C10H11FO2/c1-2-9(12)10(13)7-5-3-4-6-8(7)11/h3-6,9,12H,2H2,1H3
InChIKeyNCHYZDQDUDGNKB-UHFFFAOYSA-N
XLogP1.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-1-(2-fluorophenyl)butan-1-one
CID 174768245
1-(2-fluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456290
2-hydroxy-1-(2-propoxyphenyl)butan-1-one
CID 103452946
1-(2-fluorophenyl)-2-methoxypentan-1-one
CID 116708127
2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one
CID 103453033
3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 112679711
3-(2-fluorophenyl)-2-methyl-3-oxopropanal
CID 112677228
ethyl (2R)-2-(2-fluorobenzoyl)-3-oxobutanoate
CID 98099859
4-(2-fluorophenyl)-3-methyl-4-oxobutanenitrile
CID 60914023
2-amino-1-(2-fluorophenyl)-2-methoxyethanone
CID 57287151
1-(2,5-dichlorophenyl)-2-hydroxybutan-1-one
CID 103452878
(2-ethylphenyl)-(2-fluorophenyl)methanone
CID 83393999

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-hydroxybutan-1-one?
The IUPAC name of 1-(2-fluorophenyl)-2-hydroxybutan-1-one (CID 103453135) is 1-(2-fluorophenyl)-2-hydroxybutan-1-one.
What is the SMILES notation for 1-(2-fluorophenyl)-2-hydroxybutan-1-one?
The canonical SMILES for 1-(2-fluorophenyl)-2-hydroxybutan-1-one is CCC(O)C(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-hydroxybutan-1-one?
The InChIKey is NCHYZDQDUDGNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-2-9(12)10(13)7-5-3-4-6-8(7)11/h3-6,9,12H,2H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-hydroxybutan-1-one?
1-(2-fluorophenyl)-2-hydroxybutan-1-one has a molecular weight of 182.19 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-hydroxybutan-1-one is sourced from PubChem (CID 103453135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).