3-[(3,5-difluoro-4-methylphenoxy)methyl]thiophene

C12H10F2OS — CID 91460994

IUPAC3-[(3,5-difluoro-4-methylphenoxy)methyl]thiophene
SMILESCc1c(F)cc(OCc2ccsc2)cc1F
InChIInChI=1S/C12H10F2OS/c1-8-11(13)4-10(5-12(8)14)15-6-9-2-3-16-7-9/h2-5,7H,6H2,1H3
InChIKeyKDIBKEPIPAVFBL-UHFFFAOYSA-N
MW240.27 g/mol
LogP3.91
Rot. Bonds3

About 3-[(3,5-difluoro-4-methylphenoxy)methyl]thiophene

3-[(3,5-difluoro-4-methylphenoxy)methyl]thiophene (PubChem CID 91460994) has the molecular formula C12H10F2OS and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-[(3,5-difluoro-4-methylphenoxy)methyl]thiophene.

Molecular Properties

Compound Name3-[(3,5-difluoro-4-methylphenoxy)methyl]thiophene
PubChem CID91460994
Molecular FormulaC12H10F2OS
Molecular Weight240.27 g/mol
Exact Mass240.04
IUPAC Name3-[(3,5-difluoro-4-methylphenoxy)methyl]thiophene
SMILESCc1c(F)cc(OCc2ccsc2)cc1F
InChIInChI=1S/C12H10F2OS/c1-8-11(13)4-10(5-12(8)14)15-6-9-2-3-16-7-9/h2-5,7H,6H2,1H3
InChIKeyKDIBKEPIPAVFBL-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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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluoro-4-methylphenoxy)methyl]thiophene?
The IUPAC name of 3-[(3,5-difluoro-4-methylphenoxy)methyl]thiophene (CID 91460994) is 3-[(3,5-difluoro-4-methylphenoxy)methyl]thiophene.
What is the SMILES notation for 3-[(3,5-difluoro-4-methylphenoxy)methyl]thiophene?
The canonical SMILES for 3-[(3,5-difluoro-4-methylphenoxy)methyl]thiophene is Cc1c(F)cc(OCc2ccsc2)cc1F.
What is the InChIKey of 3-[(3,5-difluoro-4-methylphenoxy)methyl]thiophene?
The InChIKey is KDIBKEPIPAVFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2OS/c1-8-11(13)4-10(5-12(8)14)15-6-9-2-3-16-7-9/h2-5,7H,6H2,1H3.
What are the key properties of 3-[(3,5-difluoro-4-methylphenoxy)methyl]thiophene?
3-[(3,5-difluoro-4-methylphenoxy)methyl]thiophene 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 3-[(3,5-difluoro-4-methylphenoxy)methyl]thiophene is sourced from PubChem (CID 91460994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).