1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol

C9H10F2OS — CID 116830989

IUPAC1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol
SMILESOC(CCS)c1ccc(F)cc1F
InChIInChI=1S/C9H10F2OS/c10-6-1-2-7(8(11)5-6)9(12)3-4-13/h1-2,5,9,12-13H,3-4H2
InChIKeyQFZFRSYYWGEODK-UHFFFAOYSA-N
MW204.24 g/mol
LogP2.32
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol

1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol (PubChem CID 116830989) has the molecular formula C9H10F2OS and a molecular weight of 204.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol
PubChem CID116830989
Molecular FormulaC9H10F2OS
Molecular Weight204.24 g/mol
Exact Mass204.04
IUPAC Name1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol
SMILESOC(CCS)c1ccc(F)cc1F
InChIInChI=1S/C9H10F2OS/c10-6-1-2-7(8(11)5-6)9(12)3-4-13/h1-2,5,9,12-13H,3-4H2
InChIKeyQFZFRSYYWGEODK-UHFFFAOYSA-N
XLogP2.32
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluorophenyl)-4-sulfanylbutane-1,2-diol
CID 171873664
1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol
CID 83810140
1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol
CID 115608674
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol
CID 65095993
(2,4-difluorophenyl)methanediol
CID 91089962
1-(2,4-difluorophenyl)but-3-en-1-ol
CID 18924035
3-(2,4-difluorophenyl)-3-hydroxypropanamide
CID 69415011
3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol
CID 61088667
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanol
CID 61086986
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
1-(2-amino-4-fluorophenyl)-4-sulfanylbutane-1,2-diol
CID 171873797

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol (CID 116830989) is 1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol is OC(CCS)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol?
The InChIKey is QFZFRSYYWGEODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2OS/c10-6-1-2-7(8(11)5-6)9(12)3-4-13/h1-2,5,9,12-13H,3-4H2.
What are the key properties of 1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol?
1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol has a molecular weight of 204.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol is sourced from PubChem (CID 116830989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).