2-fluoro-4-pentoxy-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene

C24H22F4O2 — CID 67797398

IUPAC2-fluoro-4-pentoxy-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene
SMILESCCCCCOc1ccc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c(F)c1
InChIInChI=1S/C24H22F4O2/c1-2-3-4-15-29-21-13-14-22(23(25)16-21)19-7-5-17(6-8-19)18-9-11-20(12-10-18)30-24(26,27)28/h5-14,16H,2-4,15H2,1H3
InChIKeyCPCQIUACQLCSQN-UHFFFAOYSA-N
MW418.43 g/mol
LogP7.63
Rot. Bonds8

About 2-fluoro-4-pentoxy-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene

2-fluoro-4-pentoxy-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene (PubChem CID 67797398) has the molecular formula C24H22F4O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is 2-fluoro-4-pentoxy-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-4-pentoxy-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene
PubChem CID67797398
Molecular FormulaC24H22F4O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name2-fluoro-4-pentoxy-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene
SMILESCCCCCOc1ccc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c(F)c1
InChIInChI=1S/C24H22F4O2/c1-2-3-4-15-29-21-13-14-22(23(25)16-21)19-7-5-17(6-8-19)18-9-11-20(12-10-18)30-24(26,27)28/h5-14,16H,2-4,15H2,1H3
InChIKeyCPCQIUACQLCSQN-UHFFFAOYSA-N
XLogP7.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.43
LogP ≤ 57.63
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-fluoro-1-(4-pentoxyphenyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzene
CID 151633281
2,3-difluoro-1-(4-hexoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388550
5-[difluoro-[4-[2-fluoro-4-[2-fluoro-4-(4-pentoxyphenyl)phenyl]phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene
CID 59328376
4-(difluoromethoxy)-2-fluoro-1-[4-(4-hexoxyphenyl)phenyl]benzene
CID 54231348
4-butoxy-1-[difluoro-[3-fluoro-4-[3-fluoro-4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenyl]phenoxy]methyl]-2-fluorobenzene
CID 59328546
3-fluoro-4-(4-octoxyphenyl)phenol
CID 19430943
4-(4-decoxyphenyl)-3-fluorobenzoic acid
CID 15156905
5-(4-butoxyphenyl)-2-[difluoro-[3-fluoro-4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-1,3-difluorobenzene
CID 59328856
2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 175685533
1-(4-butoxyphenyl)-2-fluoro-4-pentylbenzene
CID 67842431
1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene
CID 59328776
2-hexoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 58008111

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-pentoxy-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene?
The IUPAC name of 2-fluoro-4-pentoxy-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene (CID 67797398) is 2-fluoro-4-pentoxy-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene.
What is the SMILES notation for 2-fluoro-4-pentoxy-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene?
The canonical SMILES for 2-fluoro-4-pentoxy-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene is CCCCCOc1ccc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c(F)c1.
What is the InChIKey of 2-fluoro-4-pentoxy-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene?
The InChIKey is CPCQIUACQLCSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4O2/c1-2-3-4-15-29-21-13-14-22(23(25)16-21)19-7-5-17(6-8-19)18-9-11-20(12-10-18)30-24(26,27)28/h5-14,16H,2-4,15H2,1H3.
What are the key properties of 2-fluoro-4-pentoxy-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene?
2-fluoro-4-pentoxy-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene has a molecular weight of 418.43 g/mol, XLogP of 7.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-pentoxy-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene is sourced from PubChem (CID 67797398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).