2-[(2-chloro-6-fluorophenyl)methyl]-5-ethylthiophene

C13H12ClFS — CID 178141590

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-5-ethylthiophene
SMILESCCc1ccc(Cc2c(F)cccc2Cl)s1
InChIInChI=1S/C13H12ClFS/c1-2-9-6-7-10(16-9)8-11-12(14)4-3-5-13(11)15/h3-7H,2,8H2,1H3
InChIKeyALRFHEDKUQRNLN-UHFFFAOYSA-N
MW254.76 g/mol
LogP4.69
Rot. Bonds3

About 2-[(2-chloro-6-fluorophenyl)methyl]-5-ethylthiophene

2-[(2-chloro-6-fluorophenyl)methyl]-5-ethylthiophene (PubChem CID 178141590) has the molecular formula C13H12ClFS and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-5-ethylthiophene
PubChem CID178141590
Molecular FormulaC13H12ClFS
Molecular Weight254.76 g/mol
Exact Mass254.03
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-5-ethylthiophene
SMILESCCc1ccc(Cc2c(F)cccc2Cl)s1
InChIInChI=1S/C13H12ClFS/c1-2-9-6-7-10(16-9)8-11-12(14)4-3-5-13(11)15/h3-7H,2,8H2,1H3
InChIKeyALRFHEDKUQRNLN-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chlorophenyl)methyl]-5-ethylthiophene
CID 58178507
2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676
1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842355
2,5-diethylthiophene
CID 521294
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63023881
CID 167462330
CID 167462330
2-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-1,3-thiazole
CID 112683812
2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone
CID 55181131
3-[(2-chloro-6-fluorophenyl)methyl]-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269214
2-(2-chloro-6-fluorophenyl)-1-(4-ethylphenyl)ethanone
CID 43160436
2-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798327
3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 102944096

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-5-ethylthiophene?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-5-ethylthiophene (CID 178141590) is 2-[(2-chloro-6-fluorophenyl)methyl]-5-ethylthiophene.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-5-ethylthiophene?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-5-ethylthiophene is CCc1ccc(Cc2c(F)cccc2Cl)s1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-5-ethylthiophene?
The InChIKey is ALRFHEDKUQRNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFS/c1-2-9-6-7-10(16-9)8-11-12(14)4-3-5-13(11)15/h3-7H,2,8H2,1H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-5-ethylthiophene?
2-[(2-chloro-6-fluorophenyl)methyl]-5-ethylthiophene has a molecular weight of 254.76 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-5-ethylthiophene is sourced from PubChem (CID 178141590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).