2-butyl-5-(4-ethoxy-2,3-difluorophenyl)thiophene

C16H18F2OS — CID 143775716

IUPAC2-butyl-5-(4-ethoxy-2,3-difluorophenyl)thiophene
SMILESCCCCc1ccc(-c2ccc(OCC)c(F)c2F)s1
InChIInChI=1S/C16H18F2OS/c1-3-5-6-11-7-10-14(20-11)12-8-9-13(19-4-2)16(18)15(12)17/h7-10H,3-6H2,1-2H3
InChIKeyGBLRYZAMTOEHGO-UHFFFAOYSA-N
MW296.38 g/mol
LogP5.43
Rot. Bonds6

About 2-butyl-5-(4-ethoxy-2,3-difluorophenyl)thiophene

2-butyl-5-(4-ethoxy-2,3-difluorophenyl)thiophene (PubChem CID 143775716) has the molecular formula C16H18F2OS and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-butyl-5-(4-ethoxy-2,3-difluorophenyl)thiophene.

Molecular Properties

Compound Name2-butyl-5-(4-ethoxy-2,3-difluorophenyl)thiophene
PubChem CID143775716
Molecular FormulaC16H18F2OS
Molecular Weight296.38 g/mol
Exact Mass296.10
IUPAC Name2-butyl-5-(4-ethoxy-2,3-difluorophenyl)thiophene
SMILESCCCCc1ccc(-c2ccc(OCC)c(F)c2F)s1
InChIInChI=1S/C16H18F2OS/c1-3-5-6-11-7-10-14(20-11)12-8-9-13(19-4-2)16(18)15(12)17/h7-10H,3-6H2,1-2H3
InChIKeyGBLRYZAMTOEHGO-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.38
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Bis(4-methoxyphenyl)thiophene
CID 3552928
2,5-Bis(2-methoxyphenyl)thiophene
CID 44408693
4-(5-(4-Methoxyphenyl)thiophen-2-yl)phenol
CID 44408738
7-(tert-Butyl)-3,3-dimethyl-5-(thiophen-2-yl)-2,3-dihydrobenzofuran
CID 10850793
3-[(E)-2-(4-methoxyphenyl)ethenyl]thiophene
CID 11820631
2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-thiophen-2-ylthiophene
CID 46850581
2-((5-(4-Methoxyphenyl)thiophen-2-yl)methylene)malononitrile
CID 2740897
7-tert-Butyl-3,3-dimethyl-5-((Z)-2-thiophen-2-yl-vinyl)-2,3-dihydro-benzofuran
CID 44344532
2-[4-(Octyloxy)phenyl]thiophene
CID 18448197
2-[[2-[2-(3-Methoxyphenyl)ethyl]phenoxy]methyl]thiophene
CID 90655459
1-Benzothiophen-6-yl ethyl ether
CID 268617
2-(4-Methoxyphenyl)-3-phenoxy-1-benzothiophene
CID 11163371

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(4-ethoxy-2,3-difluorophenyl)thiophene?
The IUPAC name of 2-butyl-5-(4-ethoxy-2,3-difluorophenyl)thiophene (CID 143775716) is 2-butyl-5-(4-ethoxy-2,3-difluorophenyl)thiophene.
What is the SMILES notation for 2-butyl-5-(4-ethoxy-2,3-difluorophenyl)thiophene?
The canonical SMILES for 2-butyl-5-(4-ethoxy-2,3-difluorophenyl)thiophene is CCCCc1ccc(-c2ccc(OCC)c(F)c2F)s1.
What is the InChIKey of 2-butyl-5-(4-ethoxy-2,3-difluorophenyl)thiophene?
The InChIKey is GBLRYZAMTOEHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2OS/c1-3-5-6-11-7-10-14(20-11)12-8-9-13(19-4-2)16(18)15(12)17/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-butyl-5-(4-ethoxy-2,3-difluorophenyl)thiophene?
2-butyl-5-(4-ethoxy-2,3-difluorophenyl)thiophene has a molecular weight of 296.38 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(4-ethoxy-2,3-difluorophenyl)thiophene is sourced from PubChem (CID 143775716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).