2-[(2,4-difluorophenoxy)methyl]-4-methylthiophene

C12H10F2OS — CID 89438290

IUPAC2-[(2,4-difluorophenoxy)methyl]-4-methylthiophene
SMILESCc1csc(COc2ccc(F)cc2F)c1
InChIInChI=1S/C12H10F2OS/c1-8-4-10(16-7-8)6-15-12-3-2-9(13)5-11(12)14/h2-5,7H,6H2,1H3
InChIKeyQPUGCSUUCHSAME-UHFFFAOYSA-N
MW240.27 g/mol
LogP3.91
Rot. Bonds3

About 2-[(2,4-difluorophenoxy)methyl]-4-methylthiophene

2-[(2,4-difluorophenoxy)methyl]-4-methylthiophene (PubChem CID 89438290) has the molecular formula C12H10F2OS and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-[(2,4-difluorophenoxy)methyl]-4-methylthiophene.

Molecular Properties

Compound Name2-[(2,4-difluorophenoxy)methyl]-4-methylthiophene
PubChem CID89438290
Molecular FormulaC12H10F2OS
Molecular Weight240.27 g/mol
Exact Mass240.04
IUPAC Name2-[(2,4-difluorophenoxy)methyl]-4-methylthiophene
SMILESCc1csc(COc2ccc(F)cc2F)c1
InChIInChI=1S/C12H10F2OS/c1-8-4-10(16-7-8)6-15-12-3-2-9(13)5-11(12)14/h2-5,7H,6H2,1H3
InChIKeyQPUGCSUUCHSAME-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-2-(4-methoxyphenyl)ethenyl]thiophene
CID 11820631
3-Phenoxythiophene
CID 7018947
2-[4-(Octyloxy)phenyl]thiophene
CID 18448197
1-Benzothiophen-6-yl ethyl ether
CID 268617
2-[(E)-2-(4-methoxyphenyl)ethenyl]thiophene
CID 11458596
2-(4-Methoxyphenyl)thiophene
CID 2769425
2-[(Z)-2-(4-methoxyphenyl)ethenyl]thiophene
CID 44347199
3-[(Z)-2-(4-methoxyphenyl)ethenyl]thiophene
CID 44347278
2-(3-Phenoxyprop-1-yn-1-yl)thiophene
CID 44420309
2-Allyloxy-5-phenyl-3-(trifluoromethyl)thiophene
CID 129708917
1-[2-Methyl-5-(p-anisyl)-3-thienyl]-2,3,3,4,4,5,5-heptafluoro-1-cyclopentene
CID 12134405
2-[2-(3-Fluorophenoxy)ethyl]thiophene
CID 64764364

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-4-methylthiophene?
The IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-4-methylthiophene (CID 89438290) is 2-[(2,4-difluorophenoxy)methyl]-4-methylthiophene.
What is the SMILES notation for 2-[(2,4-difluorophenoxy)methyl]-4-methylthiophene?
The canonical SMILES for 2-[(2,4-difluorophenoxy)methyl]-4-methylthiophene is Cc1csc(COc2ccc(F)cc2F)c1.
What is the InChIKey of 2-[(2,4-difluorophenoxy)methyl]-4-methylthiophene?
The InChIKey is QPUGCSUUCHSAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2OS/c1-8-4-10(16-7-8)6-15-12-3-2-9(13)5-11(12)14/h2-5,7H,6H2,1H3.
What are the key properties of 2-[(2,4-difluorophenoxy)methyl]-4-methylthiophene?
2-[(2,4-difluorophenoxy)methyl]-4-methylthiophene has a molecular weight of 240.27 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenoxy)methyl]-4-methylthiophene is sourced from PubChem (CID 89438290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).