2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene

C12H9ClF2S — CID 62660757

IUPAC2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene
SMILESCc1ccc(C(Cl)c2cccc(F)c2F)s1
InChIInChI=1S/C12H9ClF2S/c1-7-5-6-10(16-7)11(13)8-3-2-4-9(14)12(8)15/h2-6,11H,1H3
InChIKeyKMDFPPGLTGCKSM-UHFFFAOYSA-N
MW258.72 g/mol
LogP4.66
Rot. Bonds2

About 2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene

2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene (PubChem CID 62660757) has the molecular formula C12H9ClF2S and a molecular weight of 258.72 g/mol. Its IUPAC name is 2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene
PubChem CID62660757
Molecular FormulaC12H9ClF2S
Molecular Weight258.72 g/mol
Exact Mass258.01
IUPAC Name2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene
SMILESCc1ccc(C(Cl)c2cccc(F)c2F)s1
InChIInChI=1S/C12H9ClF2S/c1-7-5-6-10(16-7)11(13)8-3-2-4-9(14)12(8)15/h2-6,11H,1H3
InChIKeyKMDFPPGLTGCKSM-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[chloro-(2-fluorophenyl)methyl]-5-methylthiophene
CID 61082346
[(2,3-difluorophenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105309299
5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65297096
2-[chloro-(3-fluorophenyl)methyl]-5-methylthiophene
CID 61082525
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81477386
2-[chloro-(3-fluorothiophen-2-yl)methyl]-5-methylthiophene
CID 130594314
2-bromo-5-[chloro-(2-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 81477529
2-[chloro-(3,5-difluorophenyl)methyl]-5-methylthiophene
CID 61082711
2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-5-methylthiophene
CID 106879791
2-[chloro-(5-chloro-2-methoxyphenyl)methyl]-5-methylthiophene
CID 63430566
2-bromo-5-[(3-bromo-2-fluorophenyl)-chloromethyl]thiophene
CID 107957784
2-chloro-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene
CID 79754690

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene?
The IUPAC name of 2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene (CID 62660757) is 2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene.
What is the SMILES notation for 2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene?
The canonical SMILES for 2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene is Cc1ccc(C(Cl)c2cccc(F)c2F)s1.
What is the InChIKey of 2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene?
The InChIKey is KMDFPPGLTGCKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2S/c1-7-5-6-10(16-7)11(13)8-3-2-4-9(14)12(8)15/h2-6,11H,1H3.
What are the key properties of 2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene?
2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene has a molecular weight of 258.72 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene is sourced from PubChem (CID 62660757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).