5-[bromo-(2-fluoro-1-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene

C10H11BrClFS — CID 131223584

IUPAC5-[bromo-(2-fluoro-1-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene
SMILESCc1cc(C(Br)C2(C)CC2F)sc1Cl
InChIInChI=1S/C10H11BrClFS/c1-5-3-6(14-9(5)12)8(11)10(2)4-7(10)13/h3,7-8H,4H2,1-2H3
InChIKeyPDTLKRCXYDUIHA-UHFFFAOYSA-N
MW297.62 g/mol
LogP4.89
Rot. Bonds2

About 5-[bromo-(2-fluoro-1-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene

5-[bromo-(2-fluoro-1-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene (PubChem CID 131223584) has the molecular formula C10H11BrClFS and a molecular weight of 297.62 g/mol. Its IUPAC name is 5-[bromo-(2-fluoro-1-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene.

Molecular Properties

Compound Name5-[bromo-(2-fluoro-1-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene
PubChem CID131223584
Molecular FormulaC10H11BrClFS
Molecular Weight297.62 g/mol
Exact Mass295.94
IUPAC Name5-[bromo-(2-fluoro-1-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene
SMILESCc1cc(C(Br)C2(C)CC2F)sc1Cl
InChIInChI=1S/C10H11BrClFS/c1-5-3-6(14-9(5)12)8(11)10(2)4-7(10)13/h3,7-8H,4H2,1-2H3
InChIKeyPDTLKRCXYDUIHA-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.62
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-[bromo-(2-fluoro-1-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene?
The IUPAC name of 5-[bromo-(2-fluoro-1-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene (CID 131223584) is 5-[bromo-(2-fluoro-1-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene.
What is the SMILES notation for 5-[bromo-(2-fluoro-1-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene?
The canonical SMILES for 5-[bromo-(2-fluoro-1-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene is Cc1cc(C(Br)C2(C)CC2F)sc1Cl.
What is the InChIKey of 5-[bromo-(2-fluoro-1-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene?
The InChIKey is PDTLKRCXYDUIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClFS/c1-5-3-6(14-9(5)12)8(11)10(2)4-7(10)13/h3,7-8H,4H2,1-2H3.
What are the key properties of 5-[bromo-(2-fluoro-1-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene?
5-[bromo-(2-fluoro-1-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene has a molecular weight of 297.62 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(2-fluoro-1-methylcyclopropyl)methyl]-2-chloro-3-methylthiophene is sourced from PubChem (CID 131223584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).