2-ethyl-6-fluoro-3,5-dimethyloxan-4-ol

C9H17FO2 — CID 58676498

IUPAC2-ethyl-6-fluoro-3,5-dimethyloxan-4-ol
SMILESCCC1OC(F)C(C)C(O)C1C
InChIInChI=1S/C9H17FO2/c1-4-7-5(2)8(11)6(3)9(10)12-7/h5-9,11H,4H2,1-3H3
InChIKeyVFODTPYVCTZHKC-UHFFFAOYSA-N
MW176.23 g/mol
LogP1.72
Rot. Bonds1

About 2-ethyl-6-fluoro-3,5-dimethyloxan-4-ol

2-ethyl-6-fluoro-3,5-dimethyloxan-4-ol (PubChem CID 58676498) has the molecular formula C9H17FO2 and a molecular weight of 176.23 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-3,5-dimethyloxan-4-ol.

Molecular Properties

Compound Name2-ethyl-6-fluoro-3,5-dimethyloxan-4-ol
PubChem CID58676498
Molecular FormulaC9H17FO2
Molecular Weight176.23 g/mol
Exact Mass176.12
IUPAC Name2-ethyl-6-fluoro-3,5-dimethyloxan-4-ol
SMILESCCC1OC(F)C(C)C(O)C1C
InChIInChI=1S/C9H17FO2/c1-4-7-5(2)8(11)6(3)9(10)12-7/h5-9,11H,4H2,1-3H3
InChIKeyVFODTPYVCTZHKC-UHFFFAOYSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-3,5-dimethyloxan-4-ol?
The IUPAC name of 2-ethyl-6-fluoro-3,5-dimethyloxan-4-ol (CID 58676498) is 2-ethyl-6-fluoro-3,5-dimethyloxan-4-ol.
What is the SMILES notation for 2-ethyl-6-fluoro-3,5-dimethyloxan-4-ol?
The canonical SMILES for 2-ethyl-6-fluoro-3,5-dimethyloxan-4-ol is CCC1OC(F)C(C)C(O)C1C.
What is the InChIKey of 2-ethyl-6-fluoro-3,5-dimethyloxan-4-ol?
The InChIKey is VFODTPYVCTZHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO2/c1-4-7-5(2)8(11)6(3)9(10)12-7/h5-9,11H,4H2,1-3H3.
What are the key properties of 2-ethyl-6-fluoro-3,5-dimethyloxan-4-ol?
2-ethyl-6-fluoro-3,5-dimethyloxan-4-ol has a molecular weight of 176.23 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-3,5-dimethyloxan-4-ol is sourced from PubChem (CID 58676498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).