3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-1-ol

C10H12F2OS — CID 115870910

IUPAC3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-1-ol
SMILESCC(CO)CSc1cc(F)ccc1F
InChIInChI=1S/C10H12F2OS/c1-7(5-13)6-14-10-4-8(11)2-3-9(10)12/h2-4,7,13H,5-6H2,1H3
InChIKeyRKRHKYXIIOYHHX-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.69
Rot. Bonds4

About 3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-1-ol

3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-1-ol (PubChem CID 115870910) has the molecular formula C10H12F2OS and a molecular weight of 218.27 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-1-ol
PubChem CID115870910
Molecular FormulaC10H12F2OS
Molecular Weight218.27 g/mol
Exact Mass218.06
IUPAC Name3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-1-ol
SMILESCC(CO)CSc1cc(F)ccc1F
InChIInChI=1S/C10H12F2OS/c1-7(5-13)6-14-10-4-8(11)2-3-9(10)12/h2-4,7,13H,5-6H2,1H3
InChIKeyRKRHKYXIIOYHHX-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-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-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]sulfanyl-2-methylpropan-1-ol
CID 79026833
3-(4-amino-2-fluorophenyl)sulfanyl-2-methylpropan-1-ol
CID 66103511
3-[4-(1-aminoethyl)-2-fluorophenyl]sulfanyl-2-methylpropan-1-ol
CID 66104063
3-[5-chloro-2-(hydroxymethyl)phenyl]sulfanyl-2-methylpropan-1-ol
CID 114865683
1-(2,5-difluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992404
5-(2,5-difluorophenyl)sulfanylpentan-1-ol
CID 62226939
3-[(3,5-difluoro-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 112676075
3-(2,5-difluorophenyl)sulfanyl-2-ethoxypropanoic acid
CID 63099819
3-[2-(aminomethyl)-4-chlorophenyl]sulfanyl-2-methylpropan-1-ol
CID 114864970
3-[(2-chloro-5-fluorophenyl)methylsulfanyl]-2-methylpropan-1-ol
CID 102604918
4-chloro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzaldehyde
CID 114863755
3-[2-amino-2-(3-fluorophenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 107525321

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-1-ol (CID 115870910) is 3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-1-ol is CC(CO)CSc1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is RKRHKYXIIOYHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2OS/c1-7(5-13)6-14-10-4-8(11)2-3-9(10)12/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-1-ol?
3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 218.27 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 115870910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).