6-(2,5-dichlorothiophen-3-yl)-6,6-difluorohexanoic acid

C10H10Cl2F2O2S — CID 43447073

IUPAC6-(2,5-dichlorothiophen-3-yl)-6,6-difluorohexanoic acid
SMILESO=C(O)CCCCC(F)(F)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H10Cl2F2O2S/c11-7-5-6(9(12)17-7)10(13,14)4-2-1-3-8(15)16/h5H,1-4H2,(H,15,16)
InChIKeyZEUKYLDNUIUMHN-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.79
Rot. Bonds6

About 6-(2,5-dichlorothiophen-3-yl)-6,6-difluorohexanoic acid

6-(2,5-dichlorothiophen-3-yl)-6,6-difluorohexanoic acid (PubChem CID 43447073) has the molecular formula C10H10Cl2F2O2S and a molecular weight of 303.16 g/mol. Its IUPAC name is 6-(2,5-dichlorothiophen-3-yl)-6,6-difluorohexanoic acid.

Molecular Properties

Compound Name6-(2,5-dichlorothiophen-3-yl)-6,6-difluorohexanoic acid
PubChem CID43447073
Molecular FormulaC10H10Cl2F2O2S
Molecular Weight303.16 g/mol
Exact Mass301.97
IUPAC Name6-(2,5-dichlorothiophen-3-yl)-6,6-difluorohexanoic acid
SMILESO=C(O)CCCCC(F)(F)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H10Cl2F2O2S/c11-7-5-6(9(12)17-7)10(13,14)4-2-1-3-8(15)16/h5H,1-4H2,(H,15,16)
InChIKeyZEUKYLDNUIUMHN-UHFFFAOYSA-N
XLogP4.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(2,5-dichlorothiophen-3-yl)-6,6-difluorohexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorothiophen-3-yl)-6,6-difluorohexanoic acid?
The IUPAC name of 6-(2,5-dichlorothiophen-3-yl)-6,6-difluorohexanoic acid (CID 43447073) is 6-(2,5-dichlorothiophen-3-yl)-6,6-difluorohexanoic acid.
What is the SMILES notation for 6-(2,5-dichlorothiophen-3-yl)-6,6-difluorohexanoic acid?
The canonical SMILES for 6-(2,5-dichlorothiophen-3-yl)-6,6-difluorohexanoic acid is O=C(O)CCCCC(F)(F)c1cc(Cl)sc1Cl.
What is the InChIKey of 6-(2,5-dichlorothiophen-3-yl)-6,6-difluorohexanoic acid?
The InChIKey is ZEUKYLDNUIUMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F2O2S/c11-7-5-6(9(12)17-7)10(13,14)4-2-1-3-8(15)16/h5H,1-4H2,(H,15,16).
What are the key properties of 6-(2,5-dichlorothiophen-3-yl)-6,6-difluorohexanoic acid?
6-(2,5-dichlorothiophen-3-yl)-6,6-difluorohexanoic acid has a molecular weight of 303.16 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorothiophen-3-yl)-6,6-difluorohexanoic acid is sourced from PubChem (CID 43447073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).