3-(4-chlorophenyl)-2-[(4-ethyl-2,6-difluorophenoxy)methyl]-5-fluorothiophene

C19H14ClF3OS — CID 90442070

IUPAC3-(4-chlorophenyl)-2-[(4-ethyl-2,6-difluorophenoxy)methyl]-5-fluorothiophene
SMILESCCc1cc(F)c(OCc2sc(F)cc2-c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C19H14ClF3OS/c1-2-11-7-15(21)19(16(22)8-11)24-10-17-14(9-18(23)25-17)12-3-5-13(20)6-4-12/h3-9H,2,10H2,1H3
InChIKeyAWZMXLTZTBABGM-UHFFFAOYSA-N
MW382.83 g/mol
LogP6.63
Rot. Bonds5

About 3-(4-chlorophenyl)-2-[(4-ethyl-2,6-difluorophenoxy)methyl]-5-fluorothiophene

3-(4-chlorophenyl)-2-[(4-ethyl-2,6-difluorophenoxy)methyl]-5-fluorothiophene (PubChem CID 90442070) has the molecular formula C19H14ClF3OS and a molecular weight of 382.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[(4-ethyl-2,6-difluorophenoxy)methyl]-5-fluorothiophene.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[(4-ethyl-2,6-difluorophenoxy)methyl]-5-fluorothiophene
PubChem CID90442070
Molecular FormulaC19H14ClF3OS
Molecular Weight382.83 g/mol
Exact Mass382.04
IUPAC Name3-(4-chlorophenyl)-2-[(4-ethyl-2,6-difluorophenoxy)methyl]-5-fluorothiophene
SMILESCCc1cc(F)c(OCc2sc(F)cc2-c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C19H14ClF3OS/c1-2-11-7-15(21)19(16(22)8-11)24-10-17-14(9-18(23)25-17)12-3-5-13(20)6-4-12/h3-9H,2,10H2,1H3
InChIKeyAWZMXLTZTBABGM-UHFFFAOYSA-N
XLogP6.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.83
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-[(4-ethyl-2,6-difluorophenoxy)methyl]-5-fluorothiophene?
The IUPAC name of 3-(4-chlorophenyl)-2-[(4-ethyl-2,6-difluorophenoxy)methyl]-5-fluorothiophene (CID 90442070) is 3-(4-chlorophenyl)-2-[(4-ethyl-2,6-difluorophenoxy)methyl]-5-fluorothiophene.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[(4-ethyl-2,6-difluorophenoxy)methyl]-5-fluorothiophene?
The canonical SMILES for 3-(4-chlorophenyl)-2-[(4-ethyl-2,6-difluorophenoxy)methyl]-5-fluorothiophene is CCc1cc(F)c(OCc2sc(F)cc2-c2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 3-(4-chlorophenyl)-2-[(4-ethyl-2,6-difluorophenoxy)methyl]-5-fluorothiophene?
The InChIKey is AWZMXLTZTBABGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3OS/c1-2-11-7-15(21)19(16(22)8-11)24-10-17-14(9-18(23)25-17)12-3-5-13(20)6-4-12/h3-9H,2,10H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-[(4-ethyl-2,6-difluorophenoxy)methyl]-5-fluorothiophene?
3-(4-chlorophenyl)-2-[(4-ethyl-2,6-difluorophenoxy)methyl]-5-fluorothiophene has a molecular weight of 382.83 g/mol, XLogP of 6.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[(4-ethyl-2,6-difluorophenoxy)methyl]-5-fluorothiophene is sourced from PubChem (CID 90442070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).