1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-ol

C10H12F2O3S — CID 167861817

IUPAC1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-ol
SMILESCC(O)CS(=O)(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C10H12F2O3S/c1-7(13)5-16(14,15)6-8-4-9(11)2-3-10(8)12/h2-4,7,13H,5-6H2,1H3
InChIKeyFXSBLHFEUINCOY-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.26
Rot. Bonds4

About 1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-ol

1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-ol (PubChem CID 167861817) has the molecular formula C10H12F2O3S and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-ol.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-ol
PubChem CID167861817
Molecular FormulaC10H12F2O3S
Molecular Weight250.27 g/mol
Exact Mass250.05
IUPAC Name1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-ol
SMILESCC(O)CS(=O)(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C10H12F2O3S/c1-7(13)5-16(14,15)6-8-4-9(11)2-3-10(8)12/h2-4,7,13H,5-6H2,1H3
InChIKeyFXSBLHFEUINCOY-UHFFFAOYSA-N
XLogP1.26
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-amine
CID 81189091
(2,5-difluorophenyl)methanesulfonyl fluoride
CID 138392013
2-[(2,5-difluorophenyl)methylsulfonyl]-3-methylbutanoic acid
CID 105354520
1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol
CID 111107872
[4-fluoro-2-(2-methylpropylsulfonylmethyl)phenyl]methanamine
CID 64764702
2-ethyl-1,4-difluorobenzene
CID 23202513
methyl 3-[(2-fluoro-5-methylphenyl)methylsulfonyl]-2-methylpropanoate
CID 166235869
1-(5-chloro-2-fluorophenyl)-N-(2-hydroxypropyl)-N-methylmethanesulfonamide
CID 75520048
5-(2,5-difluorophenyl)pentane-2,3-diol
CID 83936139
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine
CID 82239345
1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol
CID 107889509

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-ol?
The IUPAC name of 1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-ol (CID 167861817) is 1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-ol.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-ol?
The canonical SMILES for 1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-ol is CC(O)CS(=O)(=O)Cc1cc(F)ccc1F.
What is the InChIKey of 1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-ol?
The InChIKey is FXSBLHFEUINCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O3S/c1-7(13)5-16(14,15)6-8-4-9(11)2-3-10(8)12/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-ol?
1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-ol has a molecular weight of 250.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-ol is sourced from PubChem (CID 167861817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).