2-[chloro-(3-fluorothiophen-2-yl)methyl]-5-methylthiophene

C10H8ClFS2 — CID 130594314

IUPAC2-[chloro-(3-fluorothiophen-2-yl)methyl]-5-methylthiophene
SMILESCc1ccc(C(Cl)c2sccc2F)s1
InChIInChI=1S/C10H8ClFS2/c1-6-2-3-8(14-6)9(11)10-7(12)4-5-13-10/h2-5,9H,1H3
InChIKeyHJJPSIYZQXYXFE-UHFFFAOYSA-N
MW246.76 g/mol
LogP4.59
Rot. Bonds2

About 2-[chloro-(3-fluorothiophen-2-yl)methyl]-5-methylthiophene

2-[chloro-(3-fluorothiophen-2-yl)methyl]-5-methylthiophene (PubChem CID 130594314) has the molecular formula C10H8ClFS2 and a molecular weight of 246.76 g/mol. Its IUPAC name is 2-[chloro-(3-fluorothiophen-2-yl)methyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[chloro-(3-fluorothiophen-2-yl)methyl]-5-methylthiophene
PubChem CID130594314
Molecular FormulaC10H8ClFS2
Molecular Weight246.76 g/mol
Exact Mass245.97
IUPAC Name2-[chloro-(3-fluorothiophen-2-yl)methyl]-5-methylthiophene
SMILESCc1ccc(C(Cl)c2sccc2F)s1
InChIInChI=1S/C10H8ClFS2/c1-6-2-3-8(14-6)9(11)10-7(12)4-5-13-10/h2-5,9H,1H3
InChIKeyHJJPSIYZQXYXFE-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(3-fluorothiophen-2-yl)methyl]-5-methylthiophene?
The IUPAC name of 2-[chloro-(3-fluorothiophen-2-yl)methyl]-5-methylthiophene (CID 130594314) is 2-[chloro-(3-fluorothiophen-2-yl)methyl]-5-methylthiophene.
What is the SMILES notation for 2-[chloro-(3-fluorothiophen-2-yl)methyl]-5-methylthiophene?
The canonical SMILES for 2-[chloro-(3-fluorothiophen-2-yl)methyl]-5-methylthiophene is Cc1ccc(C(Cl)c2sccc2F)s1.
What is the InChIKey of 2-[chloro-(3-fluorothiophen-2-yl)methyl]-5-methylthiophene?
The InChIKey is HJJPSIYZQXYXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFS2/c1-6-2-3-8(14-6)9(11)10-7(12)4-5-13-10/h2-5,9H,1H3.
What are the key properties of 2-[chloro-(3-fluorothiophen-2-yl)methyl]-5-methylthiophene?
2-[chloro-(3-fluorothiophen-2-yl)methyl]-5-methylthiophene has a molecular weight of 246.76 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(3-fluorothiophen-2-yl)methyl]-5-methylthiophene is sourced from PubChem (CID 130594314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).