5-ethyl-3-fluoro-4-methyloxolan-2-ol

C7H13FO2 — CID 21040986

IUPAC5-ethyl-3-fluoro-4-methyloxolan-2-ol
SMILESCCC1OC(O)C(F)C1C
InChIInChI=1S/C7H13FO2/c1-3-5-4(2)6(8)7(9)10-5/h4-7,9H,3H2,1-2H3
InChIKeyADTBQRKNHAYSQS-UHFFFAOYSA-N
MW148.18 g/mol
LogP1.09
Rot. Bonds1

About 5-ethyl-3-fluoro-4-methyloxolan-2-ol

5-ethyl-3-fluoro-4-methyloxolan-2-ol (PubChem CID 21040986) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is 5-ethyl-3-fluoro-4-methyloxolan-2-ol.

Molecular Properties

Compound Name5-ethyl-3-fluoro-4-methyloxolan-2-ol
PubChem CID21040986
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name5-ethyl-3-fluoro-4-methyloxolan-2-ol
SMILESCCC1OC(O)C(F)C1C
InChIInChI=1S/C7H13FO2/c1-3-5-4(2)6(8)7(9)10-5/h4-7,9H,3H2,1-2H3
InChIKeyADTBQRKNHAYSQS-UHFFFAOYSA-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 5-ethyl-3-fluoro-4-methyloxolan-2-ol?
The IUPAC name of 5-ethyl-3-fluoro-4-methyloxolan-2-ol (CID 21040986) is 5-ethyl-3-fluoro-4-methyloxolan-2-ol.
What is the SMILES notation for 5-ethyl-3-fluoro-4-methyloxolan-2-ol?
The canonical SMILES for 5-ethyl-3-fluoro-4-methyloxolan-2-ol is CCC1OC(O)C(F)C1C.
What is the InChIKey of 5-ethyl-3-fluoro-4-methyloxolan-2-ol?
The InChIKey is ADTBQRKNHAYSQS-UHFFFAOYSA-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.
What are the key properties of 5-ethyl-3-fluoro-4-methyloxolan-2-ol?
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 5-ethyl-3-fluoro-4-methyloxolan-2-ol is sourced from PubChem (CID 21040986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).