5-(3-chlorothiophen-2-yl)-5,5-difluoro-3,3-dimethylpentanoic acid

C11H13ClF2O2S — CID 80529440

IUPAC5-(3-chlorothiophen-2-yl)-5,5-difluoro-3,3-dimethylpentanoic acid
SMILESCC(C)(CC(=O)O)CC(F)(F)c1sccc1Cl
InChIInChI=1S/C11H13ClF2O2S/c1-10(2,5-8(15)16)6-11(13,14)9-7(12)3-4-17-9/h3-4H,5-6H2,1-2H3,(H,15,16)
InChIKeyCGOFNMJKLQMMLO-UHFFFAOYSA-N
MW282.74 g/mol
LogP4.38
Rot. Bonds5

About 5-(3-chlorothiophen-2-yl)-5,5-difluoro-3,3-dimethylpentanoic acid

5-(3-chlorothiophen-2-yl)-5,5-difluoro-3,3-dimethylpentanoic acid (PubChem CID 80529440) has the molecular formula C11H13ClF2O2S and a molecular weight of 282.74 g/mol. Its IUPAC name is 5-(3-chlorothiophen-2-yl)-5,5-difluoro-3,3-dimethylpentanoic acid.

Molecular Properties

Compound Name5-(3-chlorothiophen-2-yl)-5,5-difluoro-3,3-dimethylpentanoic acid
PubChem CID80529440
Molecular FormulaC11H13ClF2O2S
Molecular Weight282.74 g/mol
Exact Mass282.03
IUPAC Name5-(3-chlorothiophen-2-yl)-5,5-difluoro-3,3-dimethylpentanoic acid
SMILESCC(C)(CC(=O)O)CC(F)(F)c1sccc1Cl
InChIInChI=1S/C11H13ClF2O2S/c1-10(2,5-8(15)16)6-11(13,14)9-7(12)3-4-17-9/h3-4H,5-6H2,1-2H3,(H,15,16)
InChIKeyCGOFNMJKLQMMLO-UHFFFAOYSA-N
XLogP4.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.74
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-difluoro-3,3-dimethyl-5-(2,3,4,6-tetrachlorophenyl)pentanoic acid
CID 105349667
2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid
CID 103845907
1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-one
CID 130626646
2-(3-chlorothiophen-2-yl)propan-2-ol
CID 107358974
5,5-difluoro-3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)pentanoic acid
CID 63535150
5-(4-ethoxyphenyl)-5,5-difluoro-3,3-dimethylpentanoic acid
CID 62933153
2-(3-chlorothiophen-2-yl)pentan-2-ol
CID 107359110
2-(3-chlorothiophen-2-yl)propan-2-amine;hydrochloride
CID 23622414
5-(2,4-difluoro-5-methylphenyl)-5,5-difluoro-3,3-dimethylpentanoic acid
CID 79732471
2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol
CID 107358997
1-(3-chlorothiophen-2-yl)-1-phenylethanol
CID 107358959
2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine
CID 107359274

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorothiophen-2-yl)-5,5-difluoro-3,3-dimethylpentanoic acid?
The IUPAC name of 5-(3-chlorothiophen-2-yl)-5,5-difluoro-3,3-dimethylpentanoic acid (CID 80529440) is 5-(3-chlorothiophen-2-yl)-5,5-difluoro-3,3-dimethylpentanoic acid.
What is the SMILES notation for 5-(3-chlorothiophen-2-yl)-5,5-difluoro-3,3-dimethylpentanoic acid?
The canonical SMILES for 5-(3-chlorothiophen-2-yl)-5,5-difluoro-3,3-dimethylpentanoic acid is CC(C)(CC(=O)O)CC(F)(F)c1sccc1Cl.
What is the InChIKey of 5-(3-chlorothiophen-2-yl)-5,5-difluoro-3,3-dimethylpentanoic acid?
The InChIKey is CGOFNMJKLQMMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2O2S/c1-10(2,5-8(15)16)6-11(13,14)9-7(12)3-4-17-9/h3-4H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 5-(3-chlorothiophen-2-yl)-5,5-difluoro-3,3-dimethylpentanoic acid?
5-(3-chlorothiophen-2-yl)-5,5-difluoro-3,3-dimethylpentanoic acid has a molecular weight of 282.74 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorothiophen-2-yl)-5,5-difluoro-3,3-dimethylpentanoic acid is sourced from PubChem (CID 80529440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).