2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-5-methylthiophene

C14H14ClFS — CID 106879791

IUPAC2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-5-methylthiophene
SMILESCc1ccc(C(Cl)c2c(C)cc(F)cc2C)s1
InChIInChI=1S/C14H14ClFS/c1-8-6-11(16)7-9(2)13(8)14(15)12-5-4-10(3)17-12/h4-7,14H,1-3H3
InChIKeyYARUHCRRFAQUNE-UHFFFAOYSA-N
MW268.78 g/mol
LogP5.14
Rot. Bonds2

About 2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-5-methylthiophene

2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-5-methylthiophene (PubChem CID 106879791) has the molecular formula C14H14ClFS and a molecular weight of 268.78 g/mol. Its IUPAC name is 2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-5-methylthiophene
PubChem CID106879791
Molecular FormulaC14H14ClFS
Molecular Weight268.78 g/mol
Exact Mass268.05
IUPAC Name2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-5-methylthiophene
SMILESCc1ccc(C(Cl)c2c(C)cc(F)cc2C)s1
InChIInChI=1S/C14H14ClFS/c1-8-6-11(16)7-9(2)13(8)14(15)12-5-4-10(3)17-12/h4-7,14H,1-3H3
InChIKeyYARUHCRRFAQUNE-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.78
LogP ≤ 55.14
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-(3,5-difluorophenyl)methyl]-5-methylthiophene
CID 61082711
2-[(3-bromo-5-fluorophenyl)-chloromethyl]-5-methylthiophene
CID 63431013
2-[chloro-(3-fluorophenyl)methyl]-5-methylthiophene
CID 61082525
2-[chloro-(5-methylthiophen-2-yl)methyl]-6-fluoro-1-benzothiophene
CID 81104807
2-[chloro-(2-fluorophenyl)methyl]-5-methylthiophene
CID 61082346
2-[chloro-(3-fluorothiophen-2-yl)methyl]-5-methylthiophene
CID 130594314
2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene
CID 62660757
2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879841
2-[chloro-(2,3-dimethylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879809
3-bromo-2-[chloro-(5-methylthiophen-2-yl)methyl]-5-methylthiophene
CID 65278499
2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-3-methylfuran
CID 106879675
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81276459

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-5-methylthiophene?
The IUPAC name of 2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-5-methylthiophene (CID 106879791) is 2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-5-methylthiophene.
What is the SMILES notation for 2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-5-methylthiophene?
The canonical SMILES for 2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-5-methylthiophene is Cc1ccc(C(Cl)c2c(C)cc(F)cc2C)s1.
What is the InChIKey of 2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-5-methylthiophene?
The InChIKey is YARUHCRRFAQUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFS/c1-8-6-11(16)7-9(2)13(8)14(15)12-5-4-10(3)17-12/h4-7,14H,1-3H3.
What are the key properties of 2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-5-methylthiophene?
2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-5-methylthiophene has a molecular weight of 268.78 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-5-methylthiophene is sourced from PubChem (CID 106879791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).