2-[4-(4-fluorophenyl)cyclohexyl]-5-propyloxolane

C19H27FO — CID 58555529

IUPAC2-[4-(4-fluorophenyl)cyclohexyl]-5-propyloxolane
SMILESCCCC1CCC(C2CCC(c3ccc(F)cc3)CC2)O1
InChIInChI=1S/C19H27FO/c1-2-3-18-12-13-19(21-18)16-6-4-14(5-7-16)15-8-10-17(20)11-9-15/h8-11,14,16,18-19H,2-7,12-13H2,1H3
InChIKeyKRWVVFRLMBVGBK-UHFFFAOYSA-N
MW290.42 g/mol
LogP5.45
Rot. Bonds4

About 2-[4-(4-fluorophenyl)cyclohexyl]-5-propyloxolane

2-[4-(4-fluorophenyl)cyclohexyl]-5-propyloxolane (PubChem CID 58555529) has the molecular formula C19H27FO and a molecular weight of 290.42 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)cyclohexyl]-5-propyloxolane.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)cyclohexyl]-5-propyloxolane
PubChem CID58555529
Molecular FormulaC19H27FO
Molecular Weight290.42 g/mol
Exact Mass290.20
IUPAC Name2-[4-(4-fluorophenyl)cyclohexyl]-5-propyloxolane
SMILESCCCC1CCC(C2CCC(c3ccc(F)cc3)CC2)O1
InChIInChI=1S/C19H27FO/c1-2-3-18-12-13-19(21-18)16-6-4-14(5-7-16)15-8-10-17(20)11-9-15/h8-11,14,16,18-19H,2-7,12-13H2,1H3
InChIKeyKRWVVFRLMBVGBK-UHFFFAOYSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.42
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-(4-fluorophenyl)cyclohexyl]-5-propyloxolane 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-(4-fluorophenyl)cyclohexyl]-5-propyloxolane?
The IUPAC name of 2-[4-(4-fluorophenyl)cyclohexyl]-5-propyloxolane (CID 58555529) is 2-[4-(4-fluorophenyl)cyclohexyl]-5-propyloxolane.
What is the SMILES notation for 2-[4-(4-fluorophenyl)cyclohexyl]-5-propyloxolane?
The canonical SMILES for 2-[4-(4-fluorophenyl)cyclohexyl]-5-propyloxolane is CCCC1CCC(C2CCC(c3ccc(F)cc3)CC2)O1.
What is the InChIKey of 2-[4-(4-fluorophenyl)cyclohexyl]-5-propyloxolane?
The InChIKey is KRWVVFRLMBVGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FO/c1-2-3-18-12-13-19(21-18)16-6-4-14(5-7-16)15-8-10-17(20)11-9-15/h8-11,14,16,18-19H,2-7,12-13H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)cyclohexyl]-5-propyloxolane?
2-[4-(4-fluorophenyl)cyclohexyl]-5-propyloxolane has a molecular weight of 290.42 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)cyclohexyl]-5-propyloxolane is sourced from PubChem (CID 58555529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).