1-fluoro-3-(4-propylcyclohexyl)-5-[[4-(trifluoromethoxy)phenyl]methoxy]benzene

C23H26F4O2 — CID 139817355

IUPAC1-fluoro-3-(4-propylcyclohexyl)-5-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
SMILESCCCC1CCC(c2cc(F)cc(OCc3ccc(OC(F)(F)F)cc3)c2)CC1
InChIInChI=1S/C23H26F4O2/c1-2-3-16-4-8-18(9-5-16)19-12-20(24)14-22(13-19)28-15-17-6-10-21(11-7-17)29-23(25,26)27/h6-7,10-14,16,18H,2-5,8-9,15H2,1H3
InChIKeySZYIKNCRQAEQIJ-UHFFFAOYSA-N
MW410.45 g/mol
LogP7.38
Rot. Bonds7

About 1-fluoro-3-(4-propylcyclohexyl)-5-[[4-(trifluoromethoxy)phenyl]methoxy]benzene

1-fluoro-3-(4-propylcyclohexyl)-5-[[4-(trifluoromethoxy)phenyl]methoxy]benzene (PubChem CID 139817355) has the molecular formula C23H26F4O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 1-fluoro-3-(4-propylcyclohexyl)-5-[[4-(trifluoromethoxy)phenyl]methoxy]benzene.

Molecular Properties

Compound Name1-fluoro-3-(4-propylcyclohexyl)-5-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
PubChem CID139817355
Molecular FormulaC23H26F4O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name1-fluoro-3-(4-propylcyclohexyl)-5-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
SMILESCCCC1CCC(c2cc(F)cc(OCc3ccc(OC(F)(F)F)cc3)c2)CC1
InChIInChI=1S/C23H26F4O2/c1-2-3-16-4-8-18(9-5-16)19-12-20(24)14-22(13-19)28-15-17-6-10-21(11-7-17)29-23(25,26)27/h6-7,10-14,16,18H,2-5,8-9,15H2,1H3
InChIKeySZYIKNCRQAEQIJ-UHFFFAOYSA-N
XLogP7.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.45
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene
CID 22440333
1,3-difluoro-5-[[4-(4-propylcyclohexyl)phenyl]methoxy]-2-(3,3,3-trifluoroprop-1-ynyl)benzene
CID 59247487
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene
CID 22080361
1-[4-(4-butylcyclohexyl)cyclohexyl]-3-[[3-(trifluoromethoxy)phenyl]methoxy]benzene;1-[4-(4-propylcyclohexyl)cyclohexyl]-3-[[3-(trifluoromethoxy)phenyl]methoxy]benzene
CID 159409331
2-[difluoro-(4-fluorophenoxy)methyl]-1,3-difluoro-5-(4-propylcyclohexyl)benzene
CID 20654174
pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane
CID 88523486
4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzene
CID 54522843
[4-(trifluoromethoxy)phenyl] 2-fluoro-4-(4-propylcyclohexyl)benzoate
CID 71436680
1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene
CID 19064157
1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 58660419
1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 22908550

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(4-propylcyclohexyl)-5-[[4-(trifluoromethoxy)phenyl]methoxy]benzene?
The IUPAC name of 1-fluoro-3-(4-propylcyclohexyl)-5-[[4-(trifluoromethoxy)phenyl]methoxy]benzene (CID 139817355) is 1-fluoro-3-(4-propylcyclohexyl)-5-[[4-(trifluoromethoxy)phenyl]methoxy]benzene.
What is the SMILES notation for 1-fluoro-3-(4-propylcyclohexyl)-5-[[4-(trifluoromethoxy)phenyl]methoxy]benzene?
The canonical SMILES for 1-fluoro-3-(4-propylcyclohexyl)-5-[[4-(trifluoromethoxy)phenyl]methoxy]benzene is CCCC1CCC(c2cc(F)cc(OCc3ccc(OC(F)(F)F)cc3)c2)CC1.
What is the InChIKey of 1-fluoro-3-(4-propylcyclohexyl)-5-[[4-(trifluoromethoxy)phenyl]methoxy]benzene?
The InChIKey is SZYIKNCRQAEQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F4O2/c1-2-3-16-4-8-18(9-5-16)19-12-20(24)14-22(13-19)28-15-17-6-10-21(11-7-17)29-23(25,26)27/h6-7,10-14,16,18H,2-5,8-9,15H2,1H3.
What are the key properties of 1-fluoro-3-(4-propylcyclohexyl)-5-[[4-(trifluoromethoxy)phenyl]methoxy]benzene?
1-fluoro-3-(4-propylcyclohexyl)-5-[[4-(trifluoromethoxy)phenyl]methoxy]benzene has a molecular weight of 410.45 g/mol, XLogP of 7.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(4-propylcyclohexyl)-5-[[4-(trifluoromethoxy)phenyl]methoxy]benzene is sourced from PubChem (CID 139817355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).