2-fluoro-1-[(3S,4S,5R)-5-hydroxy-4-methyloxolan-3-yl]ethanone

C7H11FO3 — CID 131845419

IUPAC2-fluoro-1-[(3S,4S,5R)-5-hydroxy-4-methyloxolan-3-yl]ethanone
SMILESC[C@@H]1[C@H](O)OC[C@H]1C(=O)CF
InChIInChI=1S/C7H11FO3/c1-4-5(6(9)2-8)3-11-7(4)10/h4-5,7,10H,2-3H2,1H3/t4-,5+,7+/m0/s1
InChIKeyIMPPJJOYCISPLH-HBPOCXIASA-N
MW162.16 g/mol
LogP0.13
Rot. Bonds2

About 2-fluoro-1-[(3S,4S,5R)-5-hydroxy-4-methyloxolan-3-yl]ethanone

2-fluoro-1-[(3S,4S,5R)-5-hydroxy-4-methyloxolan-3-yl]ethanone (PubChem CID 131845419) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is 2-fluoro-1-[(3S,4S,5R)-5-hydroxy-4-methyloxolan-3-yl]ethanone.

Molecular Properties

Compound Name2-fluoro-1-[(3S,4S,5R)-5-hydroxy-4-methyloxolan-3-yl]ethanone
PubChem CID131845419
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name2-fluoro-1-[(3S,4S,5R)-5-hydroxy-4-methyloxolan-3-yl]ethanone
SMILESC[C@@H]1[C@H](O)OC[C@H]1C(=O)CF
InChIInChI=1S/C7H11FO3/c1-4-5(6(9)2-8)3-11-7(4)10/h4-5,7,10H,2-3H2,1H3/t4-,5+,7+/m0/s1
InChIKeyIMPPJJOYCISPLH-HBPOCXIASA-N
XLogP0.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[(3S,4S,5R)-5-hydroxy-4-methyloxolan-3-yl]ethanone?
The IUPAC name of 2-fluoro-1-[(3S,4S,5R)-5-hydroxy-4-methyloxolan-3-yl]ethanone (CID 131845419) is 2-fluoro-1-[(3S,4S,5R)-5-hydroxy-4-methyloxolan-3-yl]ethanone.
What is the SMILES notation for 2-fluoro-1-[(3S,4S,5R)-5-hydroxy-4-methyloxolan-3-yl]ethanone?
The canonical SMILES for 2-fluoro-1-[(3S,4S,5R)-5-hydroxy-4-methyloxolan-3-yl]ethanone is C[C@@H]1[C@H](O)OC[C@H]1C(=O)CF.
What is the InChIKey of 2-fluoro-1-[(3S,4S,5R)-5-hydroxy-4-methyloxolan-3-yl]ethanone?
The InChIKey is IMPPJJOYCISPLH-HBPOCXIASA-N. The full InChI is InChI=1S/C7H11FO3/c1-4-5(6(9)2-8)3-11-7(4)10/h4-5,7,10H,2-3H2,1H3/t4-,5+,7+/m0/s1.
What are the key properties of 2-fluoro-1-[(3S,4S,5R)-5-hydroxy-4-methyloxolan-3-yl]ethanone?
2-fluoro-1-[(3S,4S,5R)-5-hydroxy-4-methyloxolan-3-yl]ethanone has a molecular weight of 162.16 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[(3S,4S,5R)-5-hydroxy-4-methyloxolan-3-yl]ethanone is sourced from PubChem (CID 131845419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).