2-fluoro-1-(4-fluorophenyl)-3-[(4-hexoxycyclohexyl)methoxy]benzene

C25H32F2O2 — CID 173376489

IUPAC2-fluoro-1-(4-fluorophenyl)-3-[(4-hexoxycyclohexyl)methoxy]benzene
SMILESCCCCCCOC1CCC(COc2cccc(-c3ccc(F)cc3)c2F)CC1
InChIInChI=1S/C25H32F2O2/c1-2-3-4-5-17-28-22-15-9-19(10-16-22)18-29-24-8-6-7-23(25(24)27)20-11-13-21(26)14-12-20/h6-8,11-14,19,22H,2-5,9-10,15-18H2,1H3
InChIKeyKOQFIIZDWYASEY-UHFFFAOYSA-N
MW402.53 g/mol
LogP7.17
Rot. Bonds10

About 2-fluoro-1-(4-fluorophenyl)-3-[(4-hexoxycyclohexyl)methoxy]benzene

2-fluoro-1-(4-fluorophenyl)-3-[(4-hexoxycyclohexyl)methoxy]benzene (PubChem CID 173376489) has the molecular formula C25H32F2O2 and a molecular weight of 402.53 g/mol. Its IUPAC name is 2-fluoro-1-(4-fluorophenyl)-3-[(4-hexoxycyclohexyl)methoxy]benzene.

Molecular Properties

Compound Name2-fluoro-1-(4-fluorophenyl)-3-[(4-hexoxycyclohexyl)methoxy]benzene
PubChem CID173376489
Molecular FormulaC25H32F2O2
Molecular Weight402.53 g/mol
Exact Mass402.24
IUPAC Name2-fluoro-1-(4-fluorophenyl)-3-[(4-hexoxycyclohexyl)methoxy]benzene
SMILESCCCCCCOC1CCC(COc2cccc(-c3ccc(F)cc3)c2F)CC1
InChIInChI=1S/C25H32F2O2/c1-2-3-4-5-17-28-22-15-9-19(10-16-22)18-29-24-8-6-7-23(25(24)27)20-11-13-21(26)14-12-20/h6-8,11-14,19,22H,2-5,9-10,15-18H2,1H3
InChIKeyKOQFIIZDWYASEY-UHFFFAOYSA-N
XLogP7.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.53
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 19103474
2,3-difluoro-4-[[4-(4-hexoxycyclohexyl)cyclohexyl]methoxy]benzonitrile
CID 18639252
2,3-difluoro-1-octoxy-4-[4-[(4-pentylcyclohexyl)oxymethyl]phenyl]benzene
CID 20665383
1-butoxy-4-[4-[[2,3-difluoro-4-(4-propoxycyclohexyl)phenoxy]methyl]cyclohexyl]-2,3-difluorobenzene
CID 89429969
1-butoxy-2-fluoro-3-phenylbenzene
CID 175805388
2,3-difluoro-1-[4-(4-hexylcyclohexyl)phenyl]-4-octoxybenzene
CID 134358528
2,3-difluoro-1-octoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 14495692
1-[4-(2,3-difluoro-4-pentoxyphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730650
8-fluoro-3-methyl-7-[(4-undecoxycyclohexyl)methoxy]isochromen-1-one
CID 134190907
2,3-difluoro-1-[4-[2-fluoro-4-[4-(methoxymethyl)cyclohexyl]phenyl]phenyl]-4-hexoxybenzene
CID 67730040
1-[4-(2,3-difluoro-4-octoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 67738211
1-[4-(2,3-difluoro-4-heptoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67738139

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-fluorophenyl)-3-[(4-hexoxycyclohexyl)methoxy]benzene?
The IUPAC name of 2-fluoro-1-(4-fluorophenyl)-3-[(4-hexoxycyclohexyl)methoxy]benzene (CID 173376489) is 2-fluoro-1-(4-fluorophenyl)-3-[(4-hexoxycyclohexyl)methoxy]benzene.
What is the SMILES notation for 2-fluoro-1-(4-fluorophenyl)-3-[(4-hexoxycyclohexyl)methoxy]benzene?
The canonical SMILES for 2-fluoro-1-(4-fluorophenyl)-3-[(4-hexoxycyclohexyl)methoxy]benzene is CCCCCCOC1CCC(COc2cccc(-c3ccc(F)cc3)c2F)CC1.
What is the InChIKey of 2-fluoro-1-(4-fluorophenyl)-3-[(4-hexoxycyclohexyl)methoxy]benzene?
The InChIKey is KOQFIIZDWYASEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2O2/c1-2-3-4-5-17-28-22-15-9-19(10-16-22)18-29-24-8-6-7-23(25(24)27)20-11-13-21(26)14-12-20/h6-8,11-14,19,22H,2-5,9-10,15-18H2,1H3.
What are the key properties of 2-fluoro-1-(4-fluorophenyl)-3-[(4-hexoxycyclohexyl)methoxy]benzene?
2-fluoro-1-(4-fluorophenyl)-3-[(4-hexoxycyclohexyl)methoxy]benzene has a molecular weight of 402.53 g/mol, XLogP of 7.17, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(4-fluorophenyl)-3-[(4-hexoxycyclohexyl)methoxy]benzene is sourced from PubChem (CID 173376489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).