2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

C24H36F2O — CID 58471750

IUPAC2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCOc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F
InChIInChI=1S/C24H36F2O/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(27-16-4-2)24(26)23(21)25/h14-15,17-20H,3-13,16H2,1-2H3
InChIKeyWGONOKAJJBMHGL-UHFFFAOYSA-N
MW378.55 g/mol
LogP7.63
Rot. Bonds7

About 2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 58471750) has the molecular formula C24H36F2O and a molecular weight of 378.55 g/mol. Its IUPAC name is 2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID58471750
Molecular FormulaC24H36F2O
Molecular Weight378.55 g/mol
Exact Mass378.27
IUPAC Name2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCOc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F
InChIInChI=1S/C24H36F2O/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(27-16-4-2)24(26)23(21)25/h14-15,17-20H,3-13,16H2,1-2H3
InChIKeyWGONOKAJJBMHGL-UHFFFAOYSA-N
XLogP7.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.55
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 58471750) is 2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCOc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is WGONOKAJJBMHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36F2O/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(27-16-4-2)24(26)23(21)25/h14-15,17-20H,3-13,16H2,1-2H3.
What are the key properties of 2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 378.55 g/mol, XLogP of 7.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 58471750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).