(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-one

C7H11FO2 — CID 58069390

IUPAC(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-one
SMILESCC[C@H]1OC(=O)[C@H](F)[C@@H]1C
InChIInChI=1S/C7H11FO2/c1-3-5-4(2)6(8)7(9)10-5/h4-6H,3H2,1-2H3/t4-,5-,6-/m1/s1
InChIKeyBCPXNMAEORNWNF-HSUXUTPPSA-N
MW146.16 g/mol
LogP1.30
Rot. Bonds1

About (3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-one

(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-one (PubChem CID 58069390) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is (3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-one.

Molecular Properties

Compound Name(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-one
PubChem CID58069390
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-one
SMILESCC[C@H]1OC(=O)[C@H](F)[C@@H]1C
InChIInChI=1S/C7H11FO2/c1-3-5-4(2)6(8)7(9)10-5/h4-6H,3H2,1-2H3/t4-,5-,6-/m1/s1
InChIKeyBCPXNMAEORNWNF-HSUXUTPPSA-N
XLogP1.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-one?
The IUPAC name of (3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-one (CID 58069390) is (3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-one.
What is the SMILES notation for (3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-one?
The canonical SMILES for (3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-one is CC[C@H]1OC(=O)[C@H](F)[C@@H]1C.
What is the InChIKey of (3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-one?
The InChIKey is BCPXNMAEORNWNF-HSUXUTPPSA-N. The full InChI is InChI=1S/C7H11FO2/c1-3-5-4(2)6(8)7(9)10-5/h4-6H,3H2,1-2H3/t4-,5-,6-/m1/s1.
What are the key properties of (3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-one?
(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-one has a molecular weight of 146.16 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-one is sourced from PubChem (CID 58069390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).