2-[(2,3-difluoro-4-propylphenoxy)methyl]-3-(4-ethylphenyl)-5-(trifluoromethyl)thiophene

C23H21F5OS — CID 151781196

IUPAC2-[(2,3-difluoro-4-propylphenoxy)methyl]-3-(4-ethylphenyl)-5-(trifluoromethyl)thiophene
SMILESCCCc1ccc(OCc2sc(C(F)(F)F)cc2-c2ccc(CC)cc2)c(F)c1F
InChIInChI=1S/C23H21F5OS/c1-3-5-16-10-11-18(22(25)21(16)24)29-13-19-17(12-20(30-19)23(26,27)28)15-8-6-14(4-2)7-9-15/h6-12H,3-5,13H2,1-2H3
InChIKeyRUQKLHBHBRVSOW-UHFFFAOYSA-N
MW440.48 g/mol
LogP7.81
Rot. Bonds7

About 2-[(2,3-difluoro-4-propylphenoxy)methyl]-3-(4-ethylphenyl)-5-(trifluoromethyl)thiophene

2-[(2,3-difluoro-4-propylphenoxy)methyl]-3-(4-ethylphenyl)-5-(trifluoromethyl)thiophene (PubChem CID 151781196) has the molecular formula C23H21F5OS and a molecular weight of 440.48 g/mol. Its IUPAC name is 2-[(2,3-difluoro-4-propylphenoxy)methyl]-3-(4-ethylphenyl)-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name2-[(2,3-difluoro-4-propylphenoxy)methyl]-3-(4-ethylphenyl)-5-(trifluoromethyl)thiophene
PubChem CID151781196
Molecular FormulaC23H21F5OS
Molecular Weight440.48 g/mol
Exact Mass440.12
IUPAC Name2-[(2,3-difluoro-4-propylphenoxy)methyl]-3-(4-ethylphenyl)-5-(trifluoromethyl)thiophene
SMILESCCCc1ccc(OCc2sc(C(F)(F)F)cc2-c2ccc(CC)cc2)c(F)c1F
InChIInChI=1S/C23H21F5OS/c1-3-5-16-10-11-18(22(25)21(16)24)29-13-19-17(12-20(30-19)23(26,27)28)15-8-6-14(4-2)7-9-15/h6-12H,3-5,13H2,1-2H3
InChIKeyRUQKLHBHBRVSOW-UHFFFAOYSA-N
XLogP7.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.48
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]-2,3-difluorophenyl]propan-1-ol
CID 90418008
3-[4-[[3-(4-ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]-2,3-difluorophenyl]propanoic acid
CID 90418840
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627
1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene
CID 89430735
1-butoxy-2,3-difluoro-4-(4-methylphenyl)benzene;1-butoxy-2,3-difluoro-4-(4-propylphenyl)benzene;2,3-difluoro-1-(4-methylphenyl)-4-pentylbenzene;2,3-difluoro-1-(4-pentylphenyl)-4-propylbenzene;2,3-difluoro-1-pentyl-4-(4-propylphenyl)benzene;2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene;1-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene;1-ethoxy-2,3-difluoro-4-(4-propylphenyl)benzene
CID 158794675
1-butoxy-4-[3,3-difluoro-3-[4-(4-propylphenyl)phenoxy]propyl]-2,3-difluorobenzene
CID 58995783
3-[4-[[3-(4-ethylphenyl)-5-fluorothiophen-2-yl]methoxy]-3,5-difluorophenyl]propan-1-ol
CID 85473365
2,3-difluoro-1-[4-(2-fluoro-4-propylphenyl)phenyl]-4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]benzene
CID 118858770
3-[4-[[1-(4-ethylphenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-2,3-difluorophenyl]propanoic acid
CID 86281122
1-ethyl-4-(4-ethylphenyl)-2-propylbenzene
CID 143540689
2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 118858642
1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenyl]-difluoromethoxy]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene
CID 118603340

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluoro-4-propylphenoxy)methyl]-3-(4-ethylphenyl)-5-(trifluoromethyl)thiophene?
The IUPAC name of 2-[(2,3-difluoro-4-propylphenoxy)methyl]-3-(4-ethylphenyl)-5-(trifluoromethyl)thiophene (CID 151781196) is 2-[(2,3-difluoro-4-propylphenoxy)methyl]-3-(4-ethylphenyl)-5-(trifluoromethyl)thiophene.
What is the SMILES notation for 2-[(2,3-difluoro-4-propylphenoxy)methyl]-3-(4-ethylphenyl)-5-(trifluoromethyl)thiophene?
The canonical SMILES for 2-[(2,3-difluoro-4-propylphenoxy)methyl]-3-(4-ethylphenyl)-5-(trifluoromethyl)thiophene is CCCc1ccc(OCc2sc(C(F)(F)F)cc2-c2ccc(CC)cc2)c(F)c1F.
What is the InChIKey of 2-[(2,3-difluoro-4-propylphenoxy)methyl]-3-(4-ethylphenyl)-5-(trifluoromethyl)thiophene?
The InChIKey is RUQKLHBHBRVSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F5OS/c1-3-5-16-10-11-18(22(25)21(16)24)29-13-19-17(12-20(30-19)23(26,27)28)15-8-6-14(4-2)7-9-15/h6-12H,3-5,13H2,1-2H3.
What are the key properties of 2-[(2,3-difluoro-4-propylphenoxy)methyl]-3-(4-ethylphenyl)-5-(trifluoromethyl)thiophene?
2-[(2,3-difluoro-4-propylphenoxy)methyl]-3-(4-ethylphenyl)-5-(trifluoromethyl)thiophene has a molecular weight of 440.48 g/mol, XLogP of 7.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluoro-4-propylphenoxy)methyl]-3-(4-ethylphenyl)-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 151781196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).