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

C7H13FO2 — CID 58069371

IUPAC(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-ol
SMILESCC[C@H]1OC(O)[C@H](F)[C@@H]1C
InChIInChI=1S/C7H13FO2/c1-3-5-4(2)6(8)7(9)10-5/h4-7,9H,3H2,1-2H3/t4-,5-,6-,7?/m1/s1
InChIKeyADTBQRKNHAYSQS-RKEPMNIXSA-N
MW148.18 g/mol
LogP1.09
Rot. Bonds1

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

(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-ol (PubChem CID 58069371) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is (3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-ol.

Molecular Properties

Compound Name(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-ol
PubChem CID58069371
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-ol
SMILESCC[C@H]1OC(O)[C@H](F)[C@@H]1C
InChIInChI=1S/C7H13FO2/c1-3-5-4(2)6(8)7(9)10-5/h4-7,9H,3H2,1-2H3/t4-,5-,6-,7?/m1/s1
InChIKeyADTBQRKNHAYSQS-RKEPMNIXSA-N
XLogP1.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 51.09
H-Bond Donors ≤ 51
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-ol?
The IUPAC name of (3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-ol (CID 58069371) is (3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-ol.
What is the SMILES notation for (3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-ol?
The canonical SMILES for (3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-ol 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-ol?
The InChIKey is ADTBQRKNHAYSQS-RKEPMNIXSA-N. The full InChI is InChI=1S/C7H13FO2/c1-3-5-4(2)6(8)7(9)10-5/h4-7,9H,3H2,1-2H3/t4-,5-,6-,7?/m1/s1.
What are the key properties of (3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-ol?
(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-ol has a molecular weight of 148.18 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 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-ol is sourced from PubChem (CID 58069371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).