(4S)-4-(fluoromethyl)oxolan-2-one;sulfane

C5H9FO2S — CID 158550515

IUPAC(4S)-4-(fluoromethyl)oxolan-2-one;sulfane
SMILESO=C1C[C@H](CF)CO1.S
InChIInChI=1S/C5H7FO2.H2S/c6-2-4-1-5(7)8-3-4;/h4H,1-3H2;1H2/t4-;/m1./s1
InChIKeyHPQTZQMDHGZXHU-PGMHMLKASA-N
MW152.19 g/mol
LogP0.63
Rot. Bonds1

About (4S)-4-(fluoromethyl)oxolan-2-one;sulfane

(4S)-4-(fluoromethyl)oxolan-2-one;sulfane (PubChem CID 158550515) has the molecular formula C5H9FO2S and a molecular weight of 152.19 g/mol. Its IUPAC name is (4S)-4-(fluoromethyl)oxolan-2-one;sulfane.

Molecular Properties

Compound Name(4S)-4-(fluoromethyl)oxolan-2-one;sulfane
PubChem CID158550515
Molecular FormulaC5H9FO2S
Molecular Weight152.19 g/mol
Exact Mass152.03
IUPAC Name(4S)-4-(fluoromethyl)oxolan-2-one;sulfane
SMILESO=C1C[C@H](CF)CO1.S
InChIInChI=1S/C5H7FO2.H2S/c6-2-4-1-5(7)8-3-4;/h4H,1-3H2;1H2/t4-;/m1./s1
InChIKeyHPQTZQMDHGZXHU-PGMHMLKASA-N
XLogP0.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)oxolan-2-one;hydrochloride
CID 14761838
2-(5-oxooxolan-3-yl)acetyl chloride
CID 119098756
(4R)-4-(cyclohexylmethyl)oxolan-2-one
CID 23583038
4-(2,3-dimethylbut-2-enyl)oxolan-2-one
CID 544000
4-[3-[3-[3-(5-oxooxolan-3-yl)propoxy]propoxy]propyl]oxolan-2-one
CID 22737272
4-fluorooxolan-2-one
CID 11480406
1,9-bis(5-oxooxolan-3-yl)nonane-3,7-dione
CID 23431265
4-(5-oxooxolan-3-yl)oxolan-2-one
CID 89449763
4-(cyclohex-3-en-1-ylmethyl)oxolan-2-one
CID 66596132
4-[(Z)-2,7-dimethyloct-4-enyl]oxolan-2-one
CID 70828555
(4S)-4-[(1R)-1,2-dihydroxyethyl]oxolan-2-one
CID 58158380
[(3S)-5-oxooxolan-3-yl]azanium
CID 51520662

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(fluoromethyl)oxolan-2-one;sulfane?
The IUPAC name of (4S)-4-(fluoromethyl)oxolan-2-one;sulfane (CID 158550515) is (4S)-4-(fluoromethyl)oxolan-2-one;sulfane.
What is the SMILES notation for (4S)-4-(fluoromethyl)oxolan-2-one;sulfane?
The canonical SMILES for (4S)-4-(fluoromethyl)oxolan-2-one;sulfane is O=C1C[C@H](CF)CO1.S.
What is the InChIKey of (4S)-4-(fluoromethyl)oxolan-2-one;sulfane?
The InChIKey is HPQTZQMDHGZXHU-PGMHMLKASA-N. The full InChI is InChI=1S/C5H7FO2.H2S/c6-2-4-1-5(7)8-3-4;/h4H,1-3H2;1H2/t4-;/m1./s1.
What are the key properties of (4S)-4-(fluoromethyl)oxolan-2-one;sulfane?
(4S)-4-(fluoromethyl)oxolan-2-one;sulfane has a molecular weight of 152.19 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(fluoromethyl)oxolan-2-one;sulfane is sourced from PubChem (CID 158550515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).