(2R)-3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropane-1,2-diol

C11H15FO2S — CID 97221129

IUPAC(2R)-3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropane-1,2-diol
SMILESC[C@@H](SC[C@H](O)CO)c1ccc(F)cc1
InChIInChI=1S/C11H15FO2S/c1-8(15-7-11(14)6-13)9-2-4-10(12)5-3-9/h2-5,8,11,13-14H,6-7H2,1H3/t8-,11-/m1/s1
InChIKeyPAOIBELQDXFZSA-LDYMZIIASA-N
MW230.30 g/mol
LogP1.97
Rot. Bonds5

About (2R)-3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropane-1,2-diol

(2R)-3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropane-1,2-diol (PubChem CID 97221129) has the molecular formula C11H15FO2S and a molecular weight of 230.30 g/mol. Its IUPAC name is (2R)-3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropane-1,2-diol
PubChem CID97221129
Molecular FormulaC11H15FO2S
Molecular Weight230.30 g/mol
Exact Mass230.08
IUPAC Name(2R)-3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropane-1,2-diol
SMILESC[C@@H](SC[C@H](O)CO)c1ccc(F)cc1
InChIInChI=1S/C11H15FO2S/c1-8(15-7-11(14)6-13)9-2-4-10(12)5-3-9/h2-5,8,11,13-14H,6-7H2,1H3/t8-,11-/m1/s1
InChIKeyPAOIBELQDXFZSA-LDYMZIIASA-N
XLogP1.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropane-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-phenylethylsulfanyl)propane-1,2-diol
CID 79682648
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
3-[2-amino-1-(4-chlorophenyl)propyl]sulfanylpropane-1,2-diol
CID 79682481
3-[2-amino-1-(3-fluorophenyl)propyl]sulfanylpropane-1,2-diol
CID 79682385
3-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]sulfanylpropane-1,2-diol
CID 79682177
(2S)-3-[(1S)-1-(2-chlorophenyl)ethyl]sulfanylpropane-1,2-diol
CID 97221112
(2S)-3-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylpropane-1,2-diol
CID 97221127
1-(4-chlorophenyl)-2-(2,3-dihydroxypropylsulfanyl)propan-1-one
CID 79670711
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide
CID 60540976
1-(4-fluorophenyl)sulfanylheptan-2-ol
CID 66070965
3-decylsulfanyl-1-(4-fluorophenyl)propan-1-ol
CID 10471632
3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-1-ol
CID 115870910

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropane-1,2-diol?
The IUPAC name of (2R)-3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropane-1,2-diol (CID 97221129) is (2R)-3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropane-1,2-diol.
What is the SMILES notation for (2R)-3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropane-1,2-diol?
The canonical SMILES for (2R)-3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropane-1,2-diol is C[C@@H](SC[C@H](O)CO)c1ccc(F)cc1.
What is the InChIKey of (2R)-3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropane-1,2-diol?
The InChIKey is PAOIBELQDXFZSA-LDYMZIIASA-N. The full InChI is InChI=1S/C11H15FO2S/c1-8(15-7-11(14)6-13)9-2-4-10(12)5-3-9/h2-5,8,11,13-14H,6-7H2,1H3/t8-,11-/m1/s1.
What are the key properties of (2R)-3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropane-1,2-diol?
(2R)-3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropane-1,2-diol has a molecular weight of 230.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropane-1,2-diol is sourced from PubChem (CID 97221129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).