3-(2-fluorophenyl)butan-2-one

C10H11FO — CID 66436572

IUPAC3-(2-fluorophenyl)butan-2-one
SMILESCC(=O)C(C)c1ccccc1F
InChIInChI=1S/C10H11FO/c1-7(8(2)12)9-5-3-4-6-10(9)11/h3-7H,1-2H3
InChIKeyRDNWEJJYMDZLKN-UHFFFAOYSA-N
MW166.19 g/mol
LogP2.52
Rot. Bonds2

About 3-(2-fluorophenyl)butan-2-one

3-(2-fluorophenyl)butan-2-one (PubChem CID 66436572) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is 3-(2-fluorophenyl)butan-2-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)butan-2-one
PubChem CID66436572
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name3-(2-fluorophenyl)butan-2-one
SMILESCC(=O)C(C)c1ccccc1F
InChIInChI=1S/C10H11FO/c1-7(8(2)12)9-5-3-4-6-10(9)11/h3-7H,1-2H3
InChIKeyRDNWEJJYMDZLKN-UHFFFAOYSA-N
XLogP2.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromo-2-fluorophenyl)butan-2-one
CID 117046957
(3R)-3-(2-methylphenyl)butan-2-one
CID 90139628
3-(2-acetylphenyl)butan-2-one
CID 171562891
2-(2-fluorophenyl)-3-methylbutanoic acid
CID 62492426
1,1,1-trifluoro-3-(2-fluorophenyl)pentane-2,4-dione
CID 175038617
(1R,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 130128160
(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 66633990
2-(3-fluoro-2-pyridinyl)propanoic acid
CID 91647505
3-[(S)-(2-fluorophenyl)-hydroxymethyl]but-3-en-2-one
CID 130607849
3-(2-benzoylphenyl)butan-2-one
CID 69061840
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
1-fluoro-1-(2-fluorophenyl)propan-2-ol
CID 105435040

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)butan-2-one?
The IUPAC name of 3-(2-fluorophenyl)butan-2-one (CID 66436572) is 3-(2-fluorophenyl)butan-2-one.
What is the SMILES notation for 3-(2-fluorophenyl)butan-2-one?
The canonical SMILES for 3-(2-fluorophenyl)butan-2-one is CC(=O)C(C)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)butan-2-one?
The InChIKey is RDNWEJJYMDZLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO/c1-7(8(2)12)9-5-3-4-6-10(9)11/h3-7H,1-2H3.
What are the key properties of 3-(2-fluorophenyl)butan-2-one?
3-(2-fluorophenyl)butan-2-one has a molecular weight of 166.19 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)butan-2-one is sourced from PubChem (CID 66436572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).