2-fluoro-3-hydroxy-1-phenylpropan-1-one

C9H9FO2 — CID 45080752

IUPAC2-fluoro-3-hydroxy-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(F)CO
InChIInChI=1S/C9H9FO2/c10-8(6-11)9(12)7-4-2-1-3-5-7/h1-5,8,11H,6H2
InChIKeyJHJDVPRUAJWCBJ-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.20
Rot. Bonds3

About 2-fluoro-3-hydroxy-1-phenylpropan-1-one

2-fluoro-3-hydroxy-1-phenylpropan-1-one (PubChem CID 45080752) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 2-fluoro-3-hydroxy-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-fluoro-3-hydroxy-1-phenylpropan-1-one
PubChem CID45080752
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name2-fluoro-3-hydroxy-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(F)CO
InChIInChI=1S/C9H9FO2/c10-8(6-11)9(12)7-4-2-1-3-5-7/h1-5,8,11H,6H2
InChIKeyJHJDVPRUAJWCBJ-UHFFFAOYSA-N
XLogP1.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1-phenylhexan-1-one
CID 165359070
(2R)-2-chloro-2-fluoro-1-phenylethanone
CID 93494146
3-fluoro-4-hydroxy-1-phenylbutan-2-one
CID 141355894
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
(2S,3R)-2-amino-3,4-dihydroxy-1-phenylbutan-1-one
CID 99867992
2,3-dihydroxy-1-phenylpropan-1-one;terephthalic acid
CID 160588894
3,4-dihydroxy-2-methyl-1-phenylbutan-1-one
CID 53424893
2-fluoro-3-methyl-1-phenylpentan-1-one
CID 10965397
ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042
methyl 2-(hydroxymethyl)-3-oxo-3-phenylpropanoate
CID 54180026
2-fluoro-1-phenyl-2-phenylsulfanylethanone
CID 10037552
benzoic acid;bis(propane-1,2,3-triol)
CID 68987923

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxy-1-phenylpropan-1-one?
The IUPAC name of 2-fluoro-3-hydroxy-1-phenylpropan-1-one (CID 45080752) is 2-fluoro-3-hydroxy-1-phenylpropan-1-one.
What is the SMILES notation for 2-fluoro-3-hydroxy-1-phenylpropan-1-one?
The canonical SMILES for 2-fluoro-3-hydroxy-1-phenylpropan-1-one is O=C(c1ccccc1)C(F)CO.
What is the InChIKey of 2-fluoro-3-hydroxy-1-phenylpropan-1-one?
The InChIKey is JHJDVPRUAJWCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c10-8(6-11)9(12)7-4-2-1-3-5-7/h1-5,8,11H,6H2.
What are the key properties of 2-fluoro-3-hydroxy-1-phenylpropan-1-one?
2-fluoro-3-hydroxy-1-phenylpropan-1-one has a molecular weight of 168.17 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroxy-1-phenylpropan-1-one is sourced from PubChem (CID 45080752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).