methyl 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetate

C7H4Cl2F2O2S — CID 168975344

IUPACmethyl 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetate
SMILESCOC(=O)C(F)(F)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H4Cl2F2O2S/c1-13-6(12)7(10,11)3-2-4(8)14-5(3)9/h2H,1H3
InChIKeyRFLXJFRWVABFBB-UHFFFAOYSA-N
MW261.08 g/mol
LogP3.32
Rot. Bonds2

About methyl 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetate

methyl 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetate (PubChem CID 168975344) has the molecular formula C7H4Cl2F2O2S and a molecular weight of 261.08 g/mol. Its IUPAC name is methyl 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetate.

Molecular Properties

Compound Namemethyl 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetate
PubChem CID168975344
Molecular FormulaC7H4Cl2F2O2S
Molecular Weight261.08 g/mol
Exact Mass259.93
IUPAC Namemethyl 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetate
SMILESCOC(=O)C(F)(F)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H4Cl2F2O2S/c1-13-6(12)7(10,11)3-2-4(8)14-5(3)9/h2H,1H3
InChIKeyRFLXJFRWVABFBB-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-amino-2-(2,5-dichlorothiophen-3-yl)propanoate
CID 130649226
methyl 5-chloro-3-(1,1-difluoro-2-hydroxyethyl)thiophene-2-carboxylate
CID 132566141
methyl 2,2-difluoro-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 105426459
methyl 2-(3,6-dichloro-2-methoxyphenyl)-2,2-difluoroacetate
CID 166132525
methyl 3-(5-chlorothiophen-2-yl)-2,2-dimethyl-3-oxopropanoate
CID 116919231
methyl 5-chloro-3-fluorothiophene-2-carboxylate
CID 71425499
methyl 5-chloro-4-fluorothiophene-2-carboxylate
CID 121232058
methyl N-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]carbamate
CID 21283503
methyl 2-(2,4-dichloro-5-fluorophenyl)-2-hydroxypropanoate
CID 62214465
methyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate
CID 115128347
methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate
CID 68973815
methyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate
CID 68973813

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetate?
The IUPAC name of methyl 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetate (CID 168975344) is methyl 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetate.
What is the SMILES notation for methyl 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetate?
The canonical SMILES for methyl 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetate is COC(=O)C(F)(F)c1cc(Cl)sc1Cl.
What is the InChIKey of methyl 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetate?
The InChIKey is RFLXJFRWVABFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2O2S/c1-13-6(12)7(10,11)3-2-4(8)14-5(3)9/h2H,1H3.
What are the key properties of methyl 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetate?
methyl 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetate has a molecular weight of 261.08 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetate is sourced from PubChem (CID 168975344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).