4-[(3-chloro-4-fluorophenoxy)methyl]-3-ethyl-2-methylthiophene

C14H14ClFOS — CID 20899674

IUPAC4-[(3-chloro-4-fluorophenoxy)methyl]-3-ethyl-2-methylthiophene
SMILESCCc1c(COc2ccc(F)c(Cl)c2)csc1C
InChIInChI=1S/C14H14ClFOS/c1-3-12-9(2)18-8-10(12)7-17-11-4-5-14(16)13(15)6-11/h4-6,8H,3,7H2,1-2H3
InChIKeyODWMURDVGODZFR-UHFFFAOYSA-N
MW284.78 g/mol
LogP4.99
Rot. Bonds4

About 4-[(3-chloro-4-fluorophenoxy)methyl]-3-ethyl-2-methylthiophene

4-[(3-chloro-4-fluorophenoxy)methyl]-3-ethyl-2-methylthiophene (PubChem CID 20899674) has the molecular formula C14H14ClFOS and a molecular weight of 284.78 g/mol. Its IUPAC name is 4-[(3-chloro-4-fluorophenoxy)methyl]-3-ethyl-2-methylthiophene.

Molecular Properties

Compound Name4-[(3-chloro-4-fluorophenoxy)methyl]-3-ethyl-2-methylthiophene
PubChem CID20899674
Molecular FormulaC14H14ClFOS
Molecular Weight284.78 g/mol
Exact Mass284.04
IUPAC Name4-[(3-chloro-4-fluorophenoxy)methyl]-3-ethyl-2-methylthiophene
SMILESCCc1c(COc2ccc(F)c(Cl)c2)csc1C
InChIInChI=1S/C14H14ClFOS/c1-3-12-9(2)18-8-10(12)7-17-11-4-5-14(16)13(15)6-11/h4-6,8H,3,7H2,1-2H3
InChIKeyODWMURDVGODZFR-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-fluorophenyl 2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carboxylate
CID 20913451
3-[(4-Fluorophenoxy)methyl]-2,5-dimethylthiophene
CID 59303938
3-[(2-Fluorophenoxy)methyl]thiophene
CID 64763614
3-[(3-Fluorophenoxy)methyl]thiophene
CID 64763635
3-[2-(2-Fluoro-5-methylphenoxy)ethyl]thiophene
CID 64854725
2-[(2,4-Difluorophenoxy)methyl]-4-methylthiophene
CID 89438290
3-(4-Chlorophenyl)-2-[(4-ethyl-2,6-difluorophenoxy)methyl]-5-fluorothiophene
CID 90442070
2-[(3,5-Difluoro-4-methylphenoxy)methyl]thiophene
CID 90999330
3-[(3,5-Difluoro-4-methylphenoxy)methyl]thiophene
CID 91460994
4-(2-Chloro-6-fluorophenyl)-2-[4-(2-fluoroethoxy)phenyl]-3-methylthiophene
CID 91557931
2-Chloro-5-(2,6-difluoro-4-prop-2-enoxyphenyl)thiophene
CID 118879720
4-(4-Chlorophenyl)-2-(trifluoromethyl)-3-[(2,3,6-trifluoro-4-propylphenoxy)methyl]thiophene
CID 151001413

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-fluorophenoxy)methyl]-3-ethyl-2-methylthiophene?
The IUPAC name of 4-[(3-chloro-4-fluorophenoxy)methyl]-3-ethyl-2-methylthiophene (CID 20899674) is 4-[(3-chloro-4-fluorophenoxy)methyl]-3-ethyl-2-methylthiophene.
What is the SMILES notation for 4-[(3-chloro-4-fluorophenoxy)methyl]-3-ethyl-2-methylthiophene?
The canonical SMILES for 4-[(3-chloro-4-fluorophenoxy)methyl]-3-ethyl-2-methylthiophene is CCc1c(COc2ccc(F)c(Cl)c2)csc1C.
What is the InChIKey of 4-[(3-chloro-4-fluorophenoxy)methyl]-3-ethyl-2-methylthiophene?
The InChIKey is ODWMURDVGODZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFOS/c1-3-12-9(2)18-8-10(12)7-17-11-4-5-14(16)13(15)6-11/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 4-[(3-chloro-4-fluorophenoxy)methyl]-3-ethyl-2-methylthiophene?
4-[(3-chloro-4-fluorophenoxy)methyl]-3-ethyl-2-methylthiophene has a molecular weight of 284.78 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-fluorophenoxy)methyl]-3-ethyl-2-methylthiophene is sourced from PubChem (CID 20899674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).