2-[1-chloro-2-(2-fluorophenyl)ethyl]-5-methylthiophene

C13H12ClFS — CID 61082521

IUPAC2-[1-chloro-2-(2-fluorophenyl)ethyl]-5-methylthiophene
SMILESCc1ccc(C(Cl)Cc2ccccc2F)s1
InChIInChI=1S/C13H12ClFS/c1-9-6-7-13(16-9)11(14)8-10-4-2-3-5-12(10)15/h2-7,11H,8H2,1H3
InChIKeyJWFFGSRNXVQQAA-UHFFFAOYSA-N
MW254.76 g/mol
LogP4.72
Rot. Bonds3

About 2-[1-chloro-2-(2-fluorophenyl)ethyl]-5-methylthiophene

2-[1-chloro-2-(2-fluorophenyl)ethyl]-5-methylthiophene (PubChem CID 61082521) has the molecular formula C13H12ClFS and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[1-chloro-2-(2-fluorophenyl)ethyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[1-chloro-2-(2-fluorophenyl)ethyl]-5-methylthiophene
PubChem CID61082521
Molecular FormulaC13H12ClFS
Molecular Weight254.76 g/mol
Exact Mass254.03
IUPAC Name2-[1-chloro-2-(2-fluorophenyl)ethyl]-5-methylthiophene
SMILESCc1ccc(C(Cl)Cc2ccccc2F)s1
InChIInChI=1S/C13H12ClFS/c1-9-6-7-13(16-9)11(14)8-10-4-2-3-5-12(10)15/h2-7,11H,8H2,1H3
InChIKeyJWFFGSRNXVQQAA-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 54.72
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-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylthiophene
CID 63430609
2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene
CID 79996776
2-[chloro-(2-fluorophenyl)methyl]-5-methylthiophene
CID 61082346
1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 63543185
2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene
CID 55197766
1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene
CID 63434643
4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63542318
1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene
CID 113396019
2-[1-chloro-2-(2-methylphenyl)ethyl]-5-ethylthiophene
CID 63430769
4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran
CID 114822972
5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene
CID 55223503
2-[chloro-(2,3-difluorophenyl)methyl]-5-methylthiophene
CID 62660757

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(2-fluorophenyl)ethyl]-5-methylthiophene?
The IUPAC name of 2-[1-chloro-2-(2-fluorophenyl)ethyl]-5-methylthiophene (CID 61082521) is 2-[1-chloro-2-(2-fluorophenyl)ethyl]-5-methylthiophene.
What is the SMILES notation for 2-[1-chloro-2-(2-fluorophenyl)ethyl]-5-methylthiophene?
The canonical SMILES for 2-[1-chloro-2-(2-fluorophenyl)ethyl]-5-methylthiophene is Cc1ccc(C(Cl)Cc2ccccc2F)s1.
What is the InChIKey of 2-[1-chloro-2-(2-fluorophenyl)ethyl]-5-methylthiophene?
The InChIKey is JWFFGSRNXVQQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFS/c1-9-6-7-13(16-9)11(14)8-10-4-2-3-5-12(10)15/h2-7,11H,8H2,1H3.
What are the key properties of 2-[1-chloro-2-(2-fluorophenyl)ethyl]-5-methylthiophene?
2-[1-chloro-2-(2-fluorophenyl)ethyl]-5-methylthiophene has a molecular weight of 254.76 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-(2-fluorophenyl)ethyl]-5-methylthiophene is sourced from PubChem (CID 61082521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).