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

C20H33FO — CID 57091311

IUPAC2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane
SMILESCCCC1CCC(C2CCC(C3CC=C(F)CC3)OC2)CC1
InChIInChI=1S/C20H33FO/c1-2-3-15-4-6-16(7-5-15)18-10-13-20(22-14-18)17-8-11-19(21)12-9-17/h11,15-18,20H,2-10,12-14H2,1H3
InChIKeyGFYCWRVKWYXRCV-UHFFFAOYSA-N
MW308.48 g/mol
LogP6.04
Rot. Bonds4

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

2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane (PubChem CID 57091311) has the molecular formula C20H33FO and a molecular weight of 308.48 g/mol. Its IUPAC name is 2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane.

Molecular Properties

Compound Name2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane
PubChem CID57091311
Molecular FormulaC20H33FO
Molecular Weight308.48 g/mol
Exact Mass308.25
IUPAC Name2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane
SMILESCCCC1CCC(C2CCC(C3CC=C(F)CC3)OC2)CC1
InChIInChI=1S/C20H33FO/c1-2-3-15-4-6-16(7-5-15)18-10-13-20(22-14-18)17-8-11-19(21)12-9-17/h11,15-18,20H,2-10,12-14H2,1H3
InChIKeyGFYCWRVKWYXRCV-UHFFFAOYSA-N
XLogP6.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.48
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane?
The IUPAC name of 2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane (CID 57091311) is 2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane.
What is the SMILES notation for 2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane?
The canonical SMILES for 2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane is CCCC1CCC(C2CCC(C3CC=C(F)CC3)OC2)CC1.
What is the InChIKey of 2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane?
The InChIKey is GFYCWRVKWYXRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33FO/c1-2-3-15-4-6-16(7-5-15)18-10-13-20(22-14-18)17-8-11-19(21)12-9-17/h11,15-18,20H,2-10,12-14H2,1H3.
What are the key properties of 2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane?
2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane has a molecular weight of 308.48 g/mol, XLogP of 6.04, 4 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-(4-propylcyclohexyl)oxane is sourced from PubChem (CID 57091311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).