1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide

C10H11FO3S — CID 158795498

IUPAC1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide
SMILESCC(C)C(=O)c1ccc(F)cc1.O=S=O
InChIInChI=1S/C10H11FO.O2S/c1-7(2)10(12)8-3-5-9(11)6-4-8;1-3-2/h3-7H,1-2H3;
InChIKeyISUVOKKZWKDMTI-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.99
Rot. Bonds2

About 1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide

1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide (PubChem CID 158795498) has the molecular formula C10H11FO3S and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide
PubChem CID158795498
Molecular FormulaC10H11FO3S
Molecular Weight230.26 g/mol
Exact Mass230.04
IUPAC Name1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide
SMILESCC(C)C(=O)c1ccc(F)cc1.O=S=O
InChIInChI=1S/C10H11FO.O2S/c1-7(2)10(12)8-3-5-9(11)6-4-8;1-3-2/h3-7H,1-2H3;
InChIKeyISUVOKKZWKDMTI-UHFFFAOYSA-N
XLogP1.99
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one
CID 143361678
fluorobenzene;1-(4-fluorophenyl)-2-methylpropan-1-one;2-methylpropanoyl chloride;trichloroalumane
CID 159184008
2-methyl-1-(4-sulfanylphenyl)propan-1-one
CID 13166665
1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
CID 75056323
2-tert-butylsulfinyl-1-(4-fluorophenyl)propan-1-one
CID 64638472
2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride
CID 174290426
1-(4-fluorophenyl)-2-methylbut-3-en-1-one
CID 10954084
1-[4-(2-bromoethynyl)phenyl]-2-methylpropan-1-one
CID 155392861
1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one
CID 82164906
1-(4-fluorophenyl)-2-methylpentane-1,4-dione
CID 64720461
1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one
CID 43412024
1-[4-[[hydroxy(dimethyl)silyl]methyl]phenyl]-2-methylpropan-1-one
CID 90365044

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide?
The IUPAC name of 1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide (CID 158795498) is 1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide.
What is the SMILES notation for 1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide?
The canonical SMILES for 1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide is CC(C)C(=O)c1ccc(F)cc1.O=S=O.
What is the InChIKey of 1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide?
The InChIKey is ISUVOKKZWKDMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO.O2S/c1-7(2)10(12)8-3-5-9(11)6-4-8;1-3-2/h3-7H,1-2H3;.
What are the key properties of 1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide?
1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide has a molecular weight of 230.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide is sourced from PubChem (CID 158795498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).