(2S,4S)-4-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide

C3H5FO3S — CID 95241660

IUPAC(2S,4S)-4-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide
SMILESO=[S@]1OC[C@@H](CF)O1
InChIInChI=1S/C3H5FO3S/c4-1-3-2-6-8(5)7-3/h3H,1-2H2/t3-,8+/m1/s1
InChIKeySJIDOEUWSBWFOJ-NHBGOVDGSA-N
MW140.13 g/mol
LogP-0.05
Rot. Bonds1

About (2S,4S)-4-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide

(2S,4S)-4-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide (PubChem CID 95241660) has the molecular formula C3H5FO3S and a molecular weight of 140.13 g/mol. Its IUPAC name is (2S,4S)-4-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide.

Molecular Properties

Compound Name(2S,4S)-4-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide
PubChem CID95241660
Molecular FormulaC3H5FO3S
Molecular Weight140.13 g/mol
Exact Mass139.99
IUPAC Name(2S,4S)-4-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide
SMILESO=[S@]1OC[C@@H](CF)O1
InChIInChI=1S/C3H5FO3S/c4-1-3-2-6-8(5)7-3/h3H,1-2H2/t3-,8+/m1/s1
InChIKeySJIDOEUWSBWFOJ-NHBGOVDGSA-N
XLogP-0.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Propylene sulfite
CID 15117
4-(Fluoromethyl)-1,3,2lambda~4~-dioxathiolan-2-one
CID 13779203
4-(Trifluoromethyl)-1,3,2-dioxathiolane 2-oxide
CID 90465406
4-Ethyl-5-fluoro-1,3,2-dioxathiolane 2-oxide
CID 118148719
4-Fluoro-5-methyl-1,3,2-dioxathiolane 2-oxide
CID 118148723
4,5-Bis(fluoromethyl)-1,3,2-dioxathiolane 2-oxide
CID 118151972
4-(2-Fluoroethyl)-1,3,2-dioxathiolane 2-oxide
CID 118152022
4-Fluoro-5-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide
CID 118152023
4-Fluoro-5-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide
CID 118152025
4-Fluoro-5-methyl-1,3,2-dioxathiolane 2,2-dioxide
CID 146298824
4-(Fluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide
CID 170361089
(5S)-4-fluoro-5-methyl-1,3,2-dioxathiolane 2,2-dioxide
CID 174270302

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide?
The IUPAC name of (2S,4S)-4-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide (CID 95241660) is (2S,4S)-4-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide.
What is the SMILES notation for (2S,4S)-4-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide?
The canonical SMILES for (2S,4S)-4-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide is O=[S@]1OC[C@@H](CF)O1.
What is the InChIKey of (2S,4S)-4-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide?
The InChIKey is SJIDOEUWSBWFOJ-NHBGOVDGSA-N. The full InChI is InChI=1S/C3H5FO3S/c4-1-3-2-6-8(5)7-3/h3H,1-2H2/t3-,8+/m1/s1.
What are the key properties of (2S,4S)-4-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide?
(2S,4S)-4-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide has a molecular weight of 140.13 g/mol, XLogP of -0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide is sourced from PubChem (CID 95241660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).