5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)oxane

C13H21FO — CID 57229304

IUPAC5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)oxane
SMILESCCC1CCC(C2CC=C(F)CC2)OC1
InChIInChI=1S/C13H21FO/c1-2-10-3-8-13(15-9-10)11-4-6-12(14)7-5-11/h6,10-11,13H,2-5,7-9H2,1H3
InChIKeyASRNDZSWTPRPQM-UHFFFAOYSA-N
MW212.31 g/mol
LogP3.85
Rot. Bonds2

About 5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)oxane

5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)oxane (PubChem CID 57229304) has the molecular formula C13H21FO and a molecular weight of 212.31 g/mol. Its IUPAC name is 5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)oxane.

Molecular Properties

Compound Name5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)oxane
PubChem CID57229304
Molecular FormulaC13H21FO
Molecular Weight212.31 g/mol
Exact Mass212.16
IUPAC Name5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)oxane
SMILESCCC1CCC(C2CC=C(F)CC2)OC1
InChIInChI=1S/C13H21FO/c1-2-10-3-8-13(15-9-10)11-4-6-12(14)7-5-11/h6,10-11,13H,2-5,7-9H2,1H3
InChIKeyASRNDZSWTPRPQM-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)oxane?
The IUPAC name of 5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)oxane (CID 57229304) is 5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)oxane.
What is the SMILES notation for 5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)oxane?
The canonical SMILES for 5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)oxane is CCC1CCC(C2CC=C(F)CC2)OC1.
What is the InChIKey of 5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)oxane?
The InChIKey is ASRNDZSWTPRPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FO/c1-2-10-3-8-13(15-9-10)11-4-6-12(14)7-5-11/h6,10-11,13H,2-5,7-9H2,1H3.
What are the key properties of 5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)oxane?
5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)oxane has a molecular weight of 212.31 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)oxane is sourced from PubChem (CID 57229304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).