3-[1-chloro-2-(4-fluorophenyl)ethyl]-2,5-dimethylthiophene

C14H14ClFS — CID 63432678

IUPAC3-[1-chloro-2-(4-fluorophenyl)ethyl]-2,5-dimethylthiophene
SMILESCc1cc(C(Cl)Cc2ccc(F)cc2)c(C)s1
InChIInChI=1S/C14H14ClFS/c1-9-7-13(10(2)17-9)14(15)8-11-3-5-12(16)6-4-11/h3-7,14H,8H2,1-2H3
InChIKeyRJFVMFQLIXTQGL-UHFFFAOYSA-N
MW268.78 g/mol
LogP5.03
Rot. Bonds3

About 3-[1-chloro-2-(4-fluorophenyl)ethyl]-2,5-dimethylthiophene

3-[1-chloro-2-(4-fluorophenyl)ethyl]-2,5-dimethylthiophene (PubChem CID 63432678) has the molecular formula C14H14ClFS and a molecular weight of 268.78 g/mol. Its IUPAC name is 3-[1-chloro-2-(4-fluorophenyl)ethyl]-2,5-dimethylthiophene.

Molecular Properties

Compound Name3-[1-chloro-2-(4-fluorophenyl)ethyl]-2,5-dimethylthiophene
PubChem CID63432678
Molecular FormulaC14H14ClFS
Molecular Weight268.78 g/mol
Exact Mass268.05
IUPAC Name3-[1-chloro-2-(4-fluorophenyl)ethyl]-2,5-dimethylthiophene
SMILESCc1cc(C(Cl)Cc2ccc(F)cc2)c(C)s1
InChIInChI=1S/C14H14ClFS/c1-9-7-13(10(2)17-9)14(15)8-11-3-5-12(16)6-4-11/h3-7,14H,8H2,1-2H3
InChIKeyRJFVMFQLIXTQGL-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.78
LogP ≤ 55.03
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

3-[1-bromo-2-(4-fluorophenyl)ethyl]-2,5-dimethylthiophene
CID 63440974
3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2,5-dimethylthiophene
CID 63432504
1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]-5-methylbenzene
CID 81472720
4-chloro-1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-fluorobenzene
CID 63544548
3-[1-bromo-2-(4-chlorophenyl)ethyl]-2,5-dimethylthiophene
CID 55198965
1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]benzene
CID 63429264
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline
CID 43106448
1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-4-fluorobenzene
CID 63543511
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene
CID 63431842
5-[1-chloro-2-(4-fluorophenyl)ethyl]-2-methoxy-1,3-dimethylbenzene
CID 83067979
1-[1-chloro-2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)benzene
CID 63542822
1-(2-chloro-4-fluorophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
CID 43485300

Frequently Asked Questions

What is the IUPAC name of 3-[1-chloro-2-(4-fluorophenyl)ethyl]-2,5-dimethylthiophene?
The IUPAC name of 3-[1-chloro-2-(4-fluorophenyl)ethyl]-2,5-dimethylthiophene (CID 63432678) is 3-[1-chloro-2-(4-fluorophenyl)ethyl]-2,5-dimethylthiophene.
What is the SMILES notation for 3-[1-chloro-2-(4-fluorophenyl)ethyl]-2,5-dimethylthiophene?
The canonical SMILES for 3-[1-chloro-2-(4-fluorophenyl)ethyl]-2,5-dimethylthiophene is Cc1cc(C(Cl)Cc2ccc(F)cc2)c(C)s1.
What is the InChIKey of 3-[1-chloro-2-(4-fluorophenyl)ethyl]-2,5-dimethylthiophene?
The InChIKey is RJFVMFQLIXTQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFS/c1-9-7-13(10(2)17-9)14(15)8-11-3-5-12(16)6-4-11/h3-7,14H,8H2,1-2H3.
What are the key properties of 3-[1-chloro-2-(4-fluorophenyl)ethyl]-2,5-dimethylthiophene?
3-[1-chloro-2-(4-fluorophenyl)ethyl]-2,5-dimethylthiophene has a molecular weight of 268.78 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-chloro-2-(4-fluorophenyl)ethyl]-2,5-dimethylthiophene is sourced from PubChem (CID 63432678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).