2-[4-[2,3-difluoro-4-[2-(5-propyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane

C30H38F4O2 — CID 58535615

IUPAC2-[4-[2,3-difluoro-4-[2-(5-propyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane
SMILESCCCC1CCC(CCc2ccc(-c3ccc(C4CCC(CCC)CO4)c(F)c3F)c(F)c2F)OC1
InChIInChI=1S/C30H38F4O2/c1-3-5-19-7-11-22(35-17-19)12-9-21-10-13-23(28(32)27(21)31)24-14-15-25(30(34)29(24)33)26-16-8-20(6-4-2)18-36-26/h10,13-15,19-20,22,26H,3-9,11-12,16-18H2,1-2H3
InChIKeyFCCHOEZFROSBIJ-UHFFFAOYSA-N
MW506.62 g/mol
LogP8.71
Rot. Bonds9

About 2-[4-[2,3-difluoro-4-[2-(5-propyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane

2-[4-[2,3-difluoro-4-[2-(5-propyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane (PubChem CID 58535615) has the molecular formula C30H38F4O2 and a molecular weight of 506.62 g/mol. Its IUPAC name is 2-[4-[2,3-difluoro-4-[2-(5-propyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane.

Molecular Properties

Compound Name2-[4-[2,3-difluoro-4-[2-(5-propyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane
PubChem CID58535615
Molecular FormulaC30H38F4O2
Molecular Weight506.62 g/mol
Exact Mass506.28
IUPAC Name2-[4-[2,3-difluoro-4-[2-(5-propyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane
SMILESCCCC1CCC(CCc2ccc(-c3ccc(C4CCC(CCC)CO4)c(F)c3F)c(F)c2F)OC1
InChIInChI=1S/C30H38F4O2/c1-3-5-19-7-11-22(35-17-19)12-9-21-10-13-23(28(32)27(21)31)24-14-15-25(30(34)29(24)33)26-16-8-20(6-4-2)18-36-26/h10,13-15,19-20,22,26H,3-9,11-12,16-18H2,1-2H3
InChIKeyFCCHOEZFROSBIJ-UHFFFAOYSA-N
XLogP8.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.62
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[2,3-difluoro-4-[2-(5-propyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane with MolForge

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Related Compounds

2-[4-[2,3-difluoro-4-[2-(5-prop-1-enyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane
CID 76816050
5-but-3-enyl-2-[2-[4-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2,3-difluorophenyl]ethyl]oxane
CID 58535518
2-[4-[4-(2,3-difluoro-4-heptylphenyl)phenyl]-2,3-difluorophenyl]-5-propyloxane
CID 67732738
2-[4-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-2,3-difluorophenyl]-5-propyloxane
CID 58535326
2-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-5-propyloxane
CID 58535595
5-[2-[4-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane
CID 58535308
2-[2,3-difluoro-4-(4-fluorophenyl)phenyl]-5-propyloxane
CID 118593500
2-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-5-(5-propyloxan-2-yl)oxane
CID 58535519
2-[2,3-difluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-propyloxane
CID 126764970
5-but-3-enyl-2-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]ethyl]oxane
CID 58535707
5-[4-[4-[2-(4-ethenyl-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane
CID 58535303
5-but-3-enyl-2-[4-[4-(4-butyl-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]oxane
CID 67732985

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,3-difluoro-4-[2-(5-propyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane?
The IUPAC name of 2-[4-[2,3-difluoro-4-[2-(5-propyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane (CID 58535615) is 2-[4-[2,3-difluoro-4-[2-(5-propyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane.
What is the SMILES notation for 2-[4-[2,3-difluoro-4-[2-(5-propyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane?
The canonical SMILES for 2-[4-[2,3-difluoro-4-[2-(5-propyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane is CCCC1CCC(CCc2ccc(-c3ccc(C4CCC(CCC)CO4)c(F)c3F)c(F)c2F)OC1.
What is the InChIKey of 2-[4-[2,3-difluoro-4-[2-(5-propyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane?
The InChIKey is FCCHOEZFROSBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F4O2/c1-3-5-19-7-11-22(35-17-19)12-9-21-10-13-23(28(32)27(21)31)24-14-15-25(30(34)29(24)33)26-16-8-20(6-4-2)18-36-26/h10,13-15,19-20,22,26H,3-9,11-12,16-18H2,1-2H3.
What are the key properties of 2-[4-[2,3-difluoro-4-[2-(5-propyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane?
2-[4-[2,3-difluoro-4-[2-(5-propyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane has a molecular weight of 506.62 g/mol, XLogP of 8.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,3-difluoro-4-[2-(5-propyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane is sourced from PubChem (CID 58535615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).