(2R,3S,4S)-2-ethyl-4-fluorothiolan-3-ol

C6H11FOS — CID 58320976

IUPAC(2R,3S,4S)-2-ethyl-4-fluorothiolan-3-ol
SMILESCC[C@H]1SC[C@@H](F)[C@@H]1O
InChIInChI=1S/C6H11FOS/c1-2-5-6(8)4(7)3-9-5/h4-6,8H,2-3H2,1H3/t4-,5-,6+/m1/s1
InChIKeyPGDWMQOXAGFFFA-PBXRRBTRSA-N
MW150.22 g/mol
LogP1.21
Rot. Bonds1

About (2R,3S,4S)-2-ethyl-4-fluorothiolan-3-ol

(2R,3S,4S)-2-ethyl-4-fluorothiolan-3-ol (PubChem CID 58320976) has the molecular formula C6H11FOS and a molecular weight of 150.22 g/mol. Its IUPAC name is (2R,3S,4S)-2-ethyl-4-fluorothiolan-3-ol.

Molecular Properties

Compound Name(2R,3S,4S)-2-ethyl-4-fluorothiolan-3-ol
PubChem CID58320976
Molecular FormulaC6H11FOS
Molecular Weight150.22 g/mol
Exact Mass150.05
IUPAC Name(2R,3S,4S)-2-ethyl-4-fluorothiolan-3-ol
SMILESCC[C@H]1SC[C@@H](F)[C@@H]1O
InChIInChI=1S/C6H11FOS/c1-2-5-6(8)4(7)3-9-5/h4-6,8H,2-3H2,1H3/t4-,5-,6+/m1/s1
InChIKeyPGDWMQOXAGFFFA-PBXRRBTRSA-N
XLogP1.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-ethyl-4-fluorothiolan-3-ol?
The IUPAC name of (2R,3S,4S)-2-ethyl-4-fluorothiolan-3-ol (CID 58320976) is (2R,3S,4S)-2-ethyl-4-fluorothiolan-3-ol.
What is the SMILES notation for (2R,3S,4S)-2-ethyl-4-fluorothiolan-3-ol?
The canonical SMILES for (2R,3S,4S)-2-ethyl-4-fluorothiolan-3-ol is CC[C@H]1SC[C@@H](F)[C@@H]1O.
What is the InChIKey of (2R,3S,4S)-2-ethyl-4-fluorothiolan-3-ol?
The InChIKey is PGDWMQOXAGFFFA-PBXRRBTRSA-N. The full InChI is InChI=1S/C6H11FOS/c1-2-5-6(8)4(7)3-9-5/h4-6,8H,2-3H2,1H3/t4-,5-,6+/m1/s1.
What are the key properties of (2R,3S,4S)-2-ethyl-4-fluorothiolan-3-ol?
(2R,3S,4S)-2-ethyl-4-fluorothiolan-3-ol has a molecular weight of 150.22 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-ethyl-4-fluorothiolan-3-ol is sourced from PubChem (CID 58320976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).