4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluoro-2-(4-propylphenyl)phenol

C24H19F7O2 — CID 173305724

IUPAC4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluoro-2-(4-propylphenyl)phenol
SMILESCCCc1ccc(-c2c(O)cc(F)c(CCc3cc(F)c(OC(F)(F)F)c(F)c3)c2F)cc1
InChIInChI=1S/C24H19F7O2/c1-2-3-13-4-7-15(8-5-13)21-20(32)12-17(25)16(22(21)28)9-6-14-10-18(26)23(19(27)11-14)33-24(29,30)31/h4-5,7-8,10-12,32H,2-3,6,9H2,1H3
InChIKeyUHRLOHPBQVSMJH-UHFFFAOYSA-N
MW472.40 g/mol
LogP7.25
Rot. Bonds7

About 4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluoro-2-(4-propylphenyl)phenol

4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluoro-2-(4-propylphenyl)phenol (PubChem CID 173305724) has the molecular formula C24H19F7O2 and a molecular weight of 472.40 g/mol. Its IUPAC name is 4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluoro-2-(4-propylphenyl)phenol.

Molecular Properties

Compound Name4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluoro-2-(4-propylphenyl)phenol
PubChem CID173305724
Molecular FormulaC24H19F7O2
Molecular Weight472.40 g/mol
Exact Mass472.13
IUPAC Name4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluoro-2-(4-propylphenyl)phenol
SMILESCCCc1ccc(-c2c(O)cc(F)c(CCc3cc(F)c(OC(F)(F)F)c(F)c3)c2F)cc1
InChIInChI=1S/C24H19F7O2/c1-2-3-13-4-7-15(8-5-13)21-20(32)12-17(25)16(22(21)28)9-6-14-10-18(26)23(19(27)11-14)33-24(29,30)31/h4-5,7-8,10-12,32H,2-3,6,9H2,1H3
InChIKeyUHRLOHPBQVSMJH-UHFFFAOYSA-N
XLogP7.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.40
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-3,5-difluoro-2-(4-propylphenyl)phenol
CID 173305642
2-(4-butylphenyl)-3,5-difluoro-4-[2-(3,4,5-trifluorophenyl)ethyl]phenol
CID 173325915
4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-2-(4-ethylphenyl)-3,5-difluorophenol
CID 173305737
4-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethyl]-2-(4-ethylphenyl)-3,5-difluorophenol
CID 173305926
4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluoro-2-(4-pentylphenyl)phenol
CID 173325759
2-(4-butyl-2-fluorophenyl)-4-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-3,5-difluorophenol
CID 173305838
4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluoro-2-(4-octylphenyl)phenol
CID 173325900
2-[2-[3,5-difluoro-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene
CID 139758592
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-1,3-difluoro-5-pent-1-enylbenzene
CID 54454502
2-(difluoromethoxy)-5-[2-[4-[2-(2,6-difluoro-4-propylphenyl)ethyl]-2,6-difluorophenyl]ethyl]-1,3-difluorobenzene
CID 139758517
2-[difluoro(trifluoromethoxy)methyl]-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
CID 90179530
5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 56617585

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluoro-2-(4-propylphenyl)phenol?
The IUPAC name of 4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluoro-2-(4-propylphenyl)phenol (CID 173305724) is 4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluoro-2-(4-propylphenyl)phenol.
What is the SMILES notation for 4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluoro-2-(4-propylphenyl)phenol?
The canonical SMILES for 4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluoro-2-(4-propylphenyl)phenol is CCCc1ccc(-c2c(O)cc(F)c(CCc3cc(F)c(OC(F)(F)F)c(F)c3)c2F)cc1.
What is the InChIKey of 4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluoro-2-(4-propylphenyl)phenol?
The InChIKey is UHRLOHPBQVSMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F7O2/c1-2-3-13-4-7-15(8-5-13)21-20(32)12-17(25)16(22(21)28)9-6-14-10-18(26)23(19(27)11-14)33-24(29,30)31/h4-5,7-8,10-12,32H,2-3,6,9H2,1H3.
What are the key properties of 4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluoro-2-(4-propylphenyl)phenol?
4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluoro-2-(4-propylphenyl)phenol has a molecular weight of 472.40 g/mol, XLogP of 7.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluoro-2-(4-propylphenyl)phenol is sourced from PubChem (CID 173305724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).