2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene

C22H32F2O2 — CID 153282428

IUPAC2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene
SMILESCCCC1CC(COc2ccc(OCC3CC(CCC)C3)c(F)c2F)C1
InChIInChI=1S/C22H32F2O2/c1-3-5-15-9-17(10-15)13-25-19-7-8-20(22(24)21(19)23)26-14-18-11-16(12-18)6-4-2/h7-8,15-18H,3-6,9-14H2,1-2H3
InChIKeyLEURDCCZLRVIAY-UHFFFAOYSA-N
MW366.49 g/mol
LogP6.38
Rot. Bonds10

About 2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene

2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene (PubChem CID 153282428) has the molecular formula C22H32F2O2 and a molecular weight of 366.49 g/mol. Its IUPAC name is 2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene.

Molecular Properties

Compound Name2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene
PubChem CID153282428
Molecular FormulaC22H32F2O2
Molecular Weight366.49 g/mol
Exact Mass366.24
IUPAC Name2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene
SMILESCCCC1CC(COc2ccc(OCC3CC(CCC)C3)c(F)c2F)C1
InChIInChI=1S/C22H32F2O2/c1-3-5-15-9-17(10-15)13-25-19-7-8-20(22(24)21(19)23)26-14-18-11-16(12-18)6-4-2/h7-8,15-18H,3-6,9-14H2,1-2H3
InChIKeyLEURDCCZLRVIAY-UHFFFAOYSA-N
XLogP6.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67954958
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde
CID 102522412
2-[4-[(2,3-difluoro-4-methylphenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967271
2-[(4-ethyl-2,3-difluorophenoxy)methyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967207
2-[4-[(4-butoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967423
2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile
CID 23052003
2-[(4-butoxy-2,3-difluorophenoxy)methyl]-6-[4-(4-propylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967334
2-[(4-ethoxy-2,3-difluorophenoxy)methyl]-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967247
2-[(4-ethoxy-2,3-difluorophenoxy)methyl]-6-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967376
2-[4-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]phenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967500
2-butyl-6-[(4-ethoxy-2,3-difluorophenoxy)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967195

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene?
The IUPAC name of 2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene (CID 153282428) is 2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene.
What is the SMILES notation for 2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene?
The canonical SMILES for 2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene is CCCC1CC(COc2ccc(OCC3CC(CCC)C3)c(F)c2F)C1.
What is the InChIKey of 2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene?
The InChIKey is LEURDCCZLRVIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F2O2/c1-3-5-15-9-17(10-15)13-25-19-7-8-20(22(24)21(19)23)26-14-18-11-16(12-18)6-4-2/h7-8,15-18H,3-6,9-14H2,1-2H3.
What are the key properties of 2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene?
2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene has a molecular weight of 366.49 g/mol, XLogP of 6.38, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene is sourced from PubChem (CID 153282428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).