5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane

C16H22F2O2 — CID 20581932

IUPAC5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane
SMILESCCCC1CCC(c2ccc(OCC)c(F)c2F)CO1
InChIInChI=1S/C16H22F2O2/c1-3-5-12-7-6-11(10-20-12)13-8-9-14(19-4-2)16(18)15(13)17/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyXKMJECZMQPSMMH-UHFFFAOYSA-N
MW284.35 g/mol
LogP4.43
Rot. Bonds5

About 5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane

5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane (PubChem CID 20581932) has the molecular formula C16H22F2O2 and a molecular weight of 284.35 g/mol. Its IUPAC name is 5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane.

Molecular Properties

Compound Name5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane
PubChem CID20581932
Molecular FormulaC16H22F2O2
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane
SMILESCCCC1CCC(c2ccc(OCC)c(F)c2F)CO1
InChIInChI=1S/C16H22F2O2/c1-3-5-12-7-6-11(10-20-12)13-8-9-14(19-4-2)16(18)15(13)17/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyXKMJECZMQPSMMH-UHFFFAOYSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane with MolForge

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

Launch Full Analysis

Related Compounds

5-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane
CID 58535845
5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2-(6-propyloxan-3-yl)oxane
CID 67968505
5-[4-[4-(2,3-difluoro-4-heptoxyphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane
CID 67733937
2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]-5-propyloxane
CID 58535700
5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane
CID 126764610
5-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane
CID 126765439
2-[2-(4-ethenylphenyl)ethyl]-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxane
CID 58535778
5-[4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-[(E)-pent-3-enyl]oxane
CID 58021312
6-ethoxy-3,4,5-trifluoro-2-[6-[2-(4-propylcyclohexyl)ethyl]oxan-3-yl]-9H-xanthene
CID 118891203
5-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-2-fluorophenyl]-2-propyloxane
CID 67733391
5-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2-(4-propylcyclohexyl)-1,3-dioxane
CID 67968714
5-[4-(2,3-difluoro-4-hexoxyphenyl)-2-fluorophenyl]-2-propyloxane
CID 126764628

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane?
The IUPAC name of 5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane (CID 20581932) is 5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane.
What is the SMILES notation for 5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane?
The canonical SMILES for 5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane is CCCC1CCC(c2ccc(OCC)c(F)c2F)CO1.
What is the InChIKey of 5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane?
The InChIKey is XKMJECZMQPSMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O2/c1-3-5-12-7-6-11(10-20-12)13-8-9-14(19-4-2)16(18)15(13)17/h8-9,11-12H,3-7,10H2,1-2H3.
What are the key properties of 5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane?
5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane has a molecular weight of 284.35 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-2,3-difluorophenyl)-2-propyloxane is sourced from PubChem (CID 20581932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).