2-[(3,4-difluorophenyl)methylsulfanyl]propan-1-ol

C10H12F2OS — CID 115659400

IUPAC2-[(3,4-difluorophenyl)methylsulfanyl]propan-1-ol
SMILESCC(CO)SCc1ccc(F)c(F)c1
InChIInChI=1S/C10H12F2OS/c1-7(5-13)14-6-8-2-3-9(11)10(12)4-8/h2-4,7,13H,5-6H2,1H3
InChIKeyGHAMJMBQVTWMMI-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.58
Rot. Bonds4

About 2-[(3,4-difluorophenyl)methylsulfanyl]propan-1-ol

2-[(3,4-difluorophenyl)methylsulfanyl]propan-1-ol (PubChem CID 115659400) has the molecular formula C10H12F2OS and a molecular weight of 218.27 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methylsulfanyl]propan-1-ol
PubChem CID115659400
Molecular FormulaC10H12F2OS
Molecular Weight218.27 g/mol
Exact Mass218.06
IUPAC Name2-[(3,4-difluorophenyl)methylsulfanyl]propan-1-ol
SMILESCC(CO)SCc1ccc(F)c(F)c1
InChIInChI=1S/C10H12F2OS/c1-7(5-13)14-6-8-2-3-9(11)10(12)4-8/h2-4,7,13H,5-6H2,1H3
InChIKeyGHAMJMBQVTWMMI-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3,4-difluorophenyl)methylsulfanyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3,4-difluorophenyl)methylsulfanyl]butanoic acid
CID 82918744
1,2-difluoro-4-(methylsulfanylmethyl)benzene
CID 89093376
(3,4-difluorophenyl)methanol
CID 522833
1-(3,4-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 82920814
2-[4-(1-hydroxypropan-2-ylsulfanylmethyl)phenyl]propanoic acid
CID 105345296
3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247057
2-[(3,4-difluorophenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137602
[2-fluoro-5-(3-methylbutan-2-ylsulfanylmethyl)phenyl]boronic acid
CID 107754366
2-[(3,4-difluorophenyl)methyl]-3,3-dimethylbutan-1-ol
CID 83139263
2-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 82935794
methyl 2-amino-3-[(3,4-difluorophenyl)methylsulfanyl]propanoate
CID 82918472
5-(4-aminobutan-2-ylsulfanylmethyl)-2-fluorobenzonitrile
CID 107881819

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methylsulfanyl]propan-1-ol?
The IUPAC name of 2-[(3,4-difluorophenyl)methylsulfanyl]propan-1-ol (CID 115659400) is 2-[(3,4-difluorophenyl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 2-[(3,4-difluorophenyl)methylsulfanyl]propan-1-ol is CC(CO)SCc1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methylsulfanyl]propan-1-ol?
The InChIKey is GHAMJMBQVTWMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2OS/c1-7(5-13)14-6-8-2-3-9(11)10(12)4-8/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 2-[(3,4-difluorophenyl)methylsulfanyl]propan-1-ol?
2-[(3,4-difluorophenyl)methylsulfanyl]propan-1-ol has a molecular weight of 218.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 115659400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).