5-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]-2-propyl-3,4-dihydro-2H-pyran

C23H22F6O3 — CID 118359194

IUPAC5-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]-2-propyl-3,4-dihydro-2H-pyran
SMILESCCCC1CCC(c2ccc(C(F)(F)Oc3ccc(OCC)c(F)c3F)c(F)c2F)=CO1
InChIInChI=1S/C23H22F6O3/c1-3-5-14-7-6-13(12-31-14)15-8-9-16(20(25)19(15)24)23(28,29)32-18-11-10-17(30-4-2)21(26)22(18)27/h8-12,14H,3-7H2,1-2H3
InChIKeyCKFNLUFPANBRKW-UHFFFAOYSA-N
MW460.41 g/mol
LogP7.09
Rot. Bonds8

About 5-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]-2-propyl-3,4-dihydro-2H-pyran

5-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]-2-propyl-3,4-dihydro-2H-pyran (PubChem CID 118359194) has the molecular formula C23H22F6O3 and a molecular weight of 460.41 g/mol. Its IUPAC name is 5-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]-2-propyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]-2-propyl-3,4-dihydro-2H-pyran
PubChem CID118359194
Molecular FormulaC23H22F6O3
Molecular Weight460.41 g/mol
Exact Mass460.15
IUPAC Name5-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]-2-propyl-3,4-dihydro-2H-pyran
SMILESCCCC1CCC(c2ccc(C(F)(F)Oc3ccc(OCC)c(F)c3F)c(F)c2F)=CO1
InChIInChI=1S/C23H22F6O3/c1-3-5-14-7-6-13(12-31-14)15-8-9-16(20(25)19(15)24)23(28,29)32-18-11-10-17(30-4-2)21(26)22(18)27/h8-12,14H,3-7H2,1-2H3
InChIKeyCKFNLUFPANBRKW-UHFFFAOYSA-N
XLogP7.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.41
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]-2-propyl-3,4-dihydro-2H-pyran 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

[4-ethoxy-2-fluoro-3-(trifluoromethyl)phenyl] 2,3-difluoro-4-(2-propyl-3,4-dihydro-2H-pyran-5-yl)benzoate
CID 118359201
1-[(2,3-difluoro-4-propoxyphenoxy)-difluoromethyl]-4-ethoxy-2,3-difluorobenzene
CID 20576213
1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2,3-difluorobenzene
CID 143772822
1-ethoxy-2,3-difluoro-4-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)phenyl]benzene
CID 58953404
CID 177267220
CID 177267220
1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
CID 168776499
CID 164823730
CID 164823730
5-(1,1-difluoropropyl)-2-[4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]-2,3-difluorophenyl]-1,3-dioxane
CID 20576330
4-[(4-ethoxy-2,3-difluorophenyl)-difluoromethoxy]phenol
CID 145151828
5-[2-(4-ethoxy-2,3-difluorophenyl)-1,2-difluoroethenyl]-2-pentyl-3,4-dihydro-2H-pyran
CID 123497163
1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 18352363
1-[difluoro-(4-propylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene
CID 20576292

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]-2-propyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]-2-propyl-3,4-dihydro-2H-pyran (CID 118359194) is 5-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]-2-propyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]-2-propyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]-2-propyl-3,4-dihydro-2H-pyran is CCCC1CCC(c2ccc(C(F)(F)Oc3ccc(OCC)c(F)c3F)c(F)c2F)=CO1.
What is the InChIKey of 5-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]-2-propyl-3,4-dihydro-2H-pyran?
The InChIKey is CKFNLUFPANBRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F6O3/c1-3-5-14-7-6-13(12-31-14)15-8-9-16(20(25)19(15)24)23(28,29)32-18-11-10-17(30-4-2)21(26)22(18)27/h8-12,14H,3-7H2,1-2H3.
What are the key properties of 5-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]-2-propyl-3,4-dihydro-2H-pyran?
5-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]-2-propyl-3,4-dihydro-2H-pyran has a molecular weight of 460.41 g/mol, XLogP of 7.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-ethoxy-2,3-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]-2-propyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118359194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).