2-[1-[2-(5-chlorothiophen-2-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid

C13H15ClF2O2S — CID 61071335

IUPAC2-[1-[2-(5-chlorothiophen-2-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(F)(F)c2ccc(Cl)s2)CCCC1
InChIInChI=1S/C13H15ClF2O2S/c14-10-4-3-9(19-10)13(15,16)8-12(7-11(17)18)5-1-2-6-12/h3-4H,1-2,5-8H2,(H,17,18)
InChIKeyGQYAVSGNPPTFEC-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.92
Rot. Bonds5

About 2-[1-[2-(5-chlorothiophen-2-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid

2-[1-[2-(5-chlorothiophen-2-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid (PubChem CID 61071335) has the molecular formula C13H15ClF2O2S and a molecular weight of 308.78 g/mol. Its IUPAC name is 2-[1-[2-(5-chlorothiophen-2-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(5-chlorothiophen-2-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid
PubChem CID61071335
Molecular FormulaC13H15ClF2O2S
Molecular Weight308.78 g/mol
Exact Mass308.04
IUPAC Name2-[1-[2-(5-chlorothiophen-2-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(F)(F)c2ccc(Cl)s2)CCCC1
InChIInChI=1S/C13H15ClF2O2S/c14-10-4-3-9(19-10)13(15,16)8-12(7-11(17)18)5-1-2-6-12/h3-4H,1-2,5-8H2,(H,17,18)
InChIKeyGQYAVSGNPPTFEC-UHFFFAOYSA-N
XLogP4.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 169559686
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CID 169559708
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CID 177945137
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CID 28895843
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CID 28931308
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CID 43167367
CID 43167367

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(5-chlorothiophen-2-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(5-chlorothiophen-2-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid (CID 61071335) is 2-[1-[2-(5-chlorothiophen-2-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(5-chlorothiophen-2-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(5-chlorothiophen-2-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(F)(F)c2ccc(Cl)s2)CCCC1.
What is the InChIKey of 2-[1-[2-(5-chlorothiophen-2-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid?
The InChIKey is GQYAVSGNPPTFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2O2S/c14-10-4-3-9(19-10)13(15,16)8-12(7-11(17)18)5-1-2-6-12/h3-4H,1-2,5-8H2,(H,17,18).
What are the key properties of 2-[1-[2-(5-chlorothiophen-2-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid?
2-[1-[2-(5-chlorothiophen-2-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid has a molecular weight of 308.78 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(5-chlorothiophen-2-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61071335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).