2-(4-fluorocyclohex-3-en-1-yl)-5-propyloxane

C14H23FO — CID 57269319

IUPAC2-(4-fluorocyclohex-3-en-1-yl)-5-propyloxane
SMILESCCCC1CCC(C2CC=C(F)CC2)OC1
InChIInChI=1S/C14H23FO/c1-2-3-11-4-9-14(16-10-11)12-5-7-13(15)8-6-12/h7,11-12,14H,2-6,8-10H2,1H3
InChIKeyLDHLEHFQIZYTNL-UHFFFAOYSA-N
MW226.33 g/mol
LogP4.24
Rot. Bonds3

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

2-(4-fluorocyclohex-3-en-1-yl)-5-propyloxane (PubChem CID 57269319) has the molecular formula C14H23FO and a molecular weight of 226.33 g/mol. Its IUPAC name is 2-(4-fluorocyclohex-3-en-1-yl)-5-propyloxane.

Molecular Properties

Compound Name2-(4-fluorocyclohex-3-en-1-yl)-5-propyloxane
PubChem CID57269319
Molecular FormulaC14H23FO
Molecular Weight226.33 g/mol
Exact Mass226.17
IUPAC Name2-(4-fluorocyclohex-3-en-1-yl)-5-propyloxane
SMILESCCCC1CCC(C2CC=C(F)CC2)OC1
InChIInChI=1S/C14H23FO/c1-2-3-11-4-9-14(16-10-11)12-5-7-13(15)8-6-12/h7,11-12,14H,2-6,8-10H2,1H3
InChIKeyLDHLEHFQIZYTNL-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohex-3-en-1-yl)-5-propyloxane?
The IUPAC name of 2-(4-fluorocyclohex-3-en-1-yl)-5-propyloxane (CID 57269319) is 2-(4-fluorocyclohex-3-en-1-yl)-5-propyloxane.
What is the SMILES notation for 2-(4-fluorocyclohex-3-en-1-yl)-5-propyloxane?
The canonical SMILES for 2-(4-fluorocyclohex-3-en-1-yl)-5-propyloxane is CCCC1CCC(C2CC=C(F)CC2)OC1.
What is the InChIKey of 2-(4-fluorocyclohex-3-en-1-yl)-5-propyloxane?
The InChIKey is LDHLEHFQIZYTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FO/c1-2-3-11-4-9-14(16-10-11)12-5-7-13(15)8-6-12/h7,11-12,14H,2-6,8-10H2,1H3.
What are the key properties of 2-(4-fluorocyclohex-3-en-1-yl)-5-propyloxane?
2-(4-fluorocyclohex-3-en-1-yl)-5-propyloxane has a molecular weight of 226.33 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohex-3-en-1-yl)-5-propyloxane is sourced from PubChem (CID 57269319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).