1-(2-chloro-5-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol

C11H14ClFO3S — CID 105397615

IUPAC1-(2-chloro-5-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol
SMILESCC(C)(C(O)c1cc(F)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C11H14ClFO3S/c1-11(2,17(3,15)16)10(14)8-6-7(13)4-5-9(8)12/h4-6,10,14H,1-3H3
InChIKeyVGMFDZHPOFOZLJ-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.34
Rot. Bonds3

About 1-(2-chloro-5-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol

1-(2-chloro-5-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol (PubChem CID 105397615) has the molecular formula C11H14ClFO3S and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol
PubChem CID105397615
Molecular FormulaC11H14ClFO3S
Molecular Weight280.75 g/mol
Exact Mass280.03
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol
SMILESCC(C)(C(O)c1cc(F)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C11H14ClFO3S/c1-11(2,17(3,15)16)10(14)8-6-7(13)4-5-9(8)12/h4-6,10,14H,1-3H3
InChIKeyVGMFDZHPOFOZLJ-UHFFFAOYSA-N
XLogP2.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol
CID 115781710
1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448569
1-amino-2-(2,4-difluorophenyl)-4-methyl-4-methylsulfonylpentan-3-ol
CID 65189676
(2-chloro-5-fluorophenyl)methanediol
CID 71441110
[1-(2,5-dichlorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 105302110
2-methyl-2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 115795993
2-(1-bromo-2,2,2-trifluoroethyl)-1-chloro-4-fluorobenzene;1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanol
CID 162188494
1-(2-chloro-5-fluorophenyl)propan-1-ol
CID 105393866
2-bromo-1-(3-fluorophenyl)-2-iodo-2-methylsulfonylethanol
CID 102550428
(2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397590
1-chloro-2-(1-chloro-2-methyl-2-methylsulfonylpropyl)-5-fluoro-4-methylbenzene
CID 81050891
2-amino-1-(2-chloro-5-fluorophenyl)ethanol
CID 82404297

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol (CID 105397615) is 1-(2-chloro-5-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol is CC(C)(C(O)c1cc(F)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol?
The InChIKey is VGMFDZHPOFOZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO3S/c1-11(2,17(3,15)16)10(14)8-6-7(13)4-5-9(8)12/h4-6,10,14H,1-3H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol?
1-(2-chloro-5-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol has a molecular weight of 280.75 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol is sourced from PubChem (CID 105397615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).