5-[4-(1-cyclopentylpentoxy)-2-fluorophenyl]-2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluorobenzene

C29H27F7O2 — CID 118286525

IUPAC5-[4-(1-cyclopentylpentoxy)-2-fluorophenyl]-2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluorobenzene
SMILESCCCCC(Oc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(F)c(F)c3)c(F)c2)c(F)c1)C1CCCC1
InChIInChI=1S/C29H27F7O2/c1-2-3-8-27(17-6-4-5-7-17)37-19-9-11-21(23(31)15-19)18-13-25(33)28(26(34)14-18)29(35,36)38-20-10-12-22(30)24(32)16-20/h9-17,27H,2-8H2,1H3
InChIKeyGVNVNMKBMWYAFD-UHFFFAOYSA-N
MW540.52 g/mol
LogP9.31
Rot. Bonds10

About 5-[4-(1-cyclopentylpentoxy)-2-fluorophenyl]-2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluorobenzene

5-[4-(1-cyclopentylpentoxy)-2-fluorophenyl]-2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluorobenzene (PubChem CID 118286525) has the molecular formula C29H27F7O2 and a molecular weight of 540.52 g/mol. Its IUPAC name is 5-[4-(1-cyclopentylpentoxy)-2-fluorophenyl]-2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name5-[4-(1-cyclopentylpentoxy)-2-fluorophenyl]-2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluorobenzene
PubChem CID118286525
Molecular FormulaC29H27F7O2
Molecular Weight540.52 g/mol
Exact Mass540.19
IUPAC Name5-[4-(1-cyclopentylpentoxy)-2-fluorophenyl]-2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluorobenzene
SMILESCCCCC(Oc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(F)c(F)c3)c(F)c2)c(F)c1)C1CCCC1
InChIInChI=1S/C29H27F7O2/c1-2-3-8-27(17-6-4-5-7-17)37-19-9-11-21(23(31)15-19)18-13-25(33)28(26(34)14-18)29(35,36)38-20-10-12-22(30)24(32)16-20/h9-17,27H,2-8H2,1H3
InChIKeyGVNVNMKBMWYAFD-UHFFFAOYSA-N
XLogP9.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.52
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[4-(1-cyclopentylpentoxy)-2-fluorophenyl]-2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluorobenzene 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-[cyclobutyl(2-methylbutoxy)methyl]-2-fluorophenyl]-2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluorobenzene
CID 139504527
2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene
CID 20752077
5-butoxy-2-[4-[[4-[4-(3,4-difluorophenyl)-3-fluorophenyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-dioxane
CID 59329665
1-[4-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-4-pentyl-2,6,7-trioxabicyclo[2.2.2]octane
CID 88990884
2-[4-[[4-(3,4-difluorophenyl)-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-(4-pentylcyclohexyl)pyrimidine
CID 58383611
2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-(4-heptylcyclohexyl)phenyl]benzene
CID 59328176
5-[4-[4-(4-butylcyclohexyl)-2-fluorophenyl]-2-fluorophenyl]-2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene
CID 59330126
5-[4-(4-butoxycyclohexyl)cyclohexyl]-2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluorobenzene
CID 59328691
2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluoro-5-[4-(4-pentylphenyl)phenyl]benzene
CID 59329629
2-[[4-[3,5-difluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 59328902
2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluoro-5-[4-(4-hexylcyclohexyl)cyclohexyl]benzene
CID 59329654
2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluoro-5-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 59328460

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-cyclopentylpentoxy)-2-fluorophenyl]-2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluorobenzene?
The IUPAC name of 5-[4-(1-cyclopentylpentoxy)-2-fluorophenyl]-2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluorobenzene (CID 118286525) is 5-[4-(1-cyclopentylpentoxy)-2-fluorophenyl]-2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluorobenzene.
What is the SMILES notation for 5-[4-(1-cyclopentylpentoxy)-2-fluorophenyl]-2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluorobenzene?
The canonical SMILES for 5-[4-(1-cyclopentylpentoxy)-2-fluorophenyl]-2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluorobenzene is CCCCC(Oc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(F)c(F)c3)c(F)c2)c(F)c1)C1CCCC1.
What is the InChIKey of 5-[4-(1-cyclopentylpentoxy)-2-fluorophenyl]-2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluorobenzene?
The InChIKey is GVNVNMKBMWYAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F7O2/c1-2-3-8-27(17-6-4-5-7-17)37-19-9-11-21(23(31)15-19)18-13-25(33)28(26(34)14-18)29(35,36)38-20-10-12-22(30)24(32)16-20/h9-17,27H,2-8H2,1H3.
What are the key properties of 5-[4-(1-cyclopentylpentoxy)-2-fluorophenyl]-2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluorobenzene?
5-[4-(1-cyclopentylpentoxy)-2-fluorophenyl]-2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluorobenzene has a molecular weight of 540.52 g/mol, XLogP of 9.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-cyclopentylpentoxy)-2-fluorophenyl]-2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluorobenzene is sourced from PubChem (CID 118286525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).