1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene

C24H30F2O — CID 67797912

IUPAC1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene
SMILESCCCCCC1CCC(c2ccc(OCc3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C24H30F2O/c1-2-3-4-5-18-6-9-20(10-7-18)21-11-13-22(14-12-21)27-17-19-8-15-23(25)24(26)16-19/h8,11-16,18,20H,2-7,9-10,17H2,1H3
InChIKeyITGDMTDWPDGZKH-UHFFFAOYSA-N
MW372.50 g/mol
LogP7.40
Rot. Bonds8

About 1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene

1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene (PubChem CID 67797912) has the molecular formula C24H30F2O and a molecular weight of 372.50 g/mol. Its IUPAC name is 1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene
PubChem CID67797912
Molecular FormulaC24H30F2O
Molecular Weight372.50 g/mol
Exact Mass372.23
IUPAC Name1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene
SMILESCCCCCC1CCC(c2ccc(OCc3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C24H30F2O/c1-2-3-4-5-18-6-9-20(10-7-18)21-11-13-22(14-12-21)27-17-19-8-15-23(25)24(26)16-19/h8,11-16,18,20H,2-7,9-10,17H2,1H3
InChIKeyITGDMTDWPDGZKH-UHFFFAOYSA-N
XLogP7.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.50
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene
CID 67799683
1-butoxy-4-[[4-(4-pentylcyclohexyl)phenyl]methoxy]benzene
CID 54111085
1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene
CID 22440333
1-(4-pentylcyclohexyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 19021199
pentafluoro-[4-[[4-(4-octylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane
CID 88523413
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
pentakis(4-[[4-(4-butylcyclohexyl)phenyl]methoxy]benzenethiol);pentahydrofluoride
CID 173376017
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene?
The IUPAC name of 1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene (CID 67797912) is 1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene is CCCCCC1CCC(c2ccc(OCc3ccc(F)c(F)c3)cc2)CC1.
What is the InChIKey of 1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene?
The InChIKey is ITGDMTDWPDGZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2O/c1-2-3-4-5-18-6-9-20(10-7-18)21-11-13-22(14-12-21)27-17-19-8-15-23(25)24(26)16-19/h8,11-16,18,20H,2-7,9-10,17H2,1H3.
What are the key properties of 1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene?
1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene has a molecular weight of 372.50 g/mol, XLogP of 7.40, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene is sourced from PubChem (CID 67797912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).