2-(2,2-difluoroethenoxy)-5-[difluoro-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-1,3-difluorobenzene

C32H35F7O2 — CID 123658176

IUPAC2-(2,2-difluoroethenoxy)-5-[difluoro-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-1,3-difluorobenzene
SMILESCCCC1CCC(C2CCC(C=Cc3ccc(C(F)(F)Oc4cc(F)c(OC=C(F)F)c(F)c4)c(F)c3)CC2)CC1
InChIInChI=1S/C32H35F7O2/c1-2-3-20-6-11-23(12-7-20)24-13-8-21(9-14-24)4-5-22-10-15-26(27(33)16-22)32(38,39)41-25-17-28(34)31(29(35)18-25)40-19-30(36)37/h4-5,10,15-21,23-24H,2-3,6-9,11-14H2,1H3
InChIKeyHFXGBBVDZRRTLO-UHFFFAOYSA-N
MW584.62 g/mol
LogP10.77
Rot. Bonds10

About 2-(2,2-difluoroethenoxy)-5-[difluoro-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-1,3-difluorobenzene

2-(2,2-difluoroethenoxy)-5-[difluoro-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-1,3-difluorobenzene (PubChem CID 123658176) has the molecular formula C32H35F7O2 and a molecular weight of 584.62 g/mol. Its IUPAC name is 2-(2,2-difluoroethenoxy)-5-[difluoro-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-1,3-difluorobenzene.

Molecular Properties

Compound Name2-(2,2-difluoroethenoxy)-5-[difluoro-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-1,3-difluorobenzene
PubChem CID123658176
Molecular FormulaC32H35F7O2
Molecular Weight584.62 g/mol
Exact Mass584.25
IUPAC Name2-(2,2-difluoroethenoxy)-5-[difluoro-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-1,3-difluorobenzene
SMILESCCCC1CCC(C2CCC(C=Cc3ccc(C(F)(F)Oc4cc(F)c(OC=C(F)F)c(F)c4)c(F)c3)CC2)CC1
InChIInChI=1S/C32H35F7O2/c1-2-3-20-6-11-23(12-7-20)24-13-8-21(9-14-24)4-5-22-10-15-26(27(33)16-22)32(38,39)41-25-17-28(34)31(29(35)18-25)40-19-30(36)37/h4-5,10,15-21,23-24H,2-3,6-9,11-14H2,1H3
InChIKeyHFXGBBVDZRRTLO-UHFFFAOYSA-N
XLogP10.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.62
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene
CID 54320850
1-[difluoro-[2-fluoro-4-[(E)-2-(4-methylcyclohexyl)ethenyl]phenyl]methoxy]-2,3-difluoro-4-methylbenzene
CID 20705567
2-(3,3-difluoro-2-iodoprop-1-enoxy)-5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,3-difluorobenzene
CID 123707380
2-(2,2-difluoroethenoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene
CID 22443443
2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]phenyl]benzene
CID 90179691
5-(4-but-1-enylcyclohexyl)-2-[[4-[[4-(2,2-difluoroethenoxy)-3,5-difluorophenoxy]-difluoromethyl]phenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 123408658
4-[difluoro-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]methoxy]-1-[(3,4-difluorophenoxy)-difluoromethyl]-2-fluorobenzene
CID 122502306
1-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 118592730
5-[difluoro-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]methoxy]-1,3-difluoro-2-(fluoromethoxy)benzene
CID 134222349
4-[difluoro-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]methoxy]-2,6-difluorobenzonitrile
CID 70176548
2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 20653816
4-[4-[(E)-2-(4-but-3-enylcyclohexyl)ethenyl]cyclohexyl]-1-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]-2-fluorobenzene
CID 122502250

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenoxy)-5-[difluoro-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-1,3-difluorobenzene?
The IUPAC name of 2-(2,2-difluoroethenoxy)-5-[difluoro-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-1,3-difluorobenzene (CID 123658176) is 2-(2,2-difluoroethenoxy)-5-[difluoro-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-1,3-difluorobenzene.
What is the SMILES notation for 2-(2,2-difluoroethenoxy)-5-[difluoro-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-1,3-difluorobenzene?
The canonical SMILES for 2-(2,2-difluoroethenoxy)-5-[difluoro-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-1,3-difluorobenzene is CCCC1CCC(C2CCC(C=Cc3ccc(C(F)(F)Oc4cc(F)c(OC=C(F)F)c(F)c4)c(F)c3)CC2)CC1.
What is the InChIKey of 2-(2,2-difluoroethenoxy)-5-[difluoro-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-1,3-difluorobenzene?
The InChIKey is HFXGBBVDZRRTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F7O2/c1-2-3-20-6-11-23(12-7-20)24-13-8-21(9-14-24)4-5-22-10-15-26(27(33)16-22)32(38,39)41-25-17-28(34)31(29(35)18-25)40-19-30(36)37/h4-5,10,15-21,23-24H,2-3,6-9,11-14H2,1H3.
What are the key properties of 2-(2,2-difluoroethenoxy)-5-[difluoro-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-1,3-difluorobenzene?
2-(2,2-difluoroethenoxy)-5-[difluoro-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-1,3-difluorobenzene has a molecular weight of 584.62 g/mol, XLogP of 10.77, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenoxy)-5-[difluoro-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]phenyl]methoxy]-1,3-difluorobenzene is sourced from PubChem (CID 123658176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).