3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propane-1,2-diol

C8H12F2N2O2S — CID 79683406

IUPAC3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propane-1,2-diol
SMILESOCC(O)CSCc1nccn1C(F)F
InChIInChI=1S/C8H12F2N2O2S/c9-8(10)12-2-1-11-7(12)5-15-4-6(14)3-13/h1-2,6,8,13-14H,3-5H2
InChIKeyGQOKQEFCJLDPDM-UHFFFAOYSA-N
MW238.26 g/mol
LogP0.86
Rot. Bonds6

About 3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propane-1,2-diol

3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propane-1,2-diol (PubChem CID 79683406) has the molecular formula C8H12F2N2O2S and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propane-1,2-diol
PubChem CID79683406
Molecular FormulaC8H12F2N2O2S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propane-1,2-diol
SMILESOCC(O)CSCc1nccn1C(F)F
InChIInChI=1S/C8H12F2N2O2S/c9-8(10)12-2-1-11-7(12)5-15-4-6(14)3-13/h1-2,6,8,13-14H,3-5H2
InChIKeyGQOKQEFCJLDPDM-UHFFFAOYSA-N
XLogP0.86
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propane-1,2-diol 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-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propan-1-ol
CID 66114089
(2S)-2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol
CID 79250495
2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]aniline
CID 43144094
2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methylaniline
CID 79142305
3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]phenol
CID 113430077
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butan-1-ol
CID 43416447
5-tert-butyl-2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-oxazole
CID 75381265
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylsulfanylpropan-2-amine
CID 115660800
1-(difluoromethyl)-2-(methoxymethyl)imidazole
CID 156846999
2-[4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]phenyl]acetic acid
CID 64928160
3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 43213295
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-1-amine
CID 115641541

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propane-1,2-diol?
The IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propane-1,2-diol (CID 79683406) is 3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propane-1,2-diol.
What is the SMILES notation for 3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propane-1,2-diol?
The canonical SMILES for 3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propane-1,2-diol is OCC(O)CSCc1nccn1C(F)F.
What is the InChIKey of 3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propane-1,2-diol?
The InChIKey is GQOKQEFCJLDPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O2S/c9-8(10)12-2-1-11-7(12)5-15-4-6(14)3-13/h1-2,6,8,13-14H,3-5H2.
What are the key properties of 3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propane-1,2-diol?
3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propane-1,2-diol has a molecular weight of 238.26 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propane-1,2-diol is sourced from PubChem (CID 79683406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).