(5-chlorothiophen-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone

C10H9ClF3NO2S — CID 56795069

IUPAC(5-chlorothiophen-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H9ClF3NO2S/c11-7-2-1-6(18-7)8(16)15-4-3-9(17,5-15)10(12,13)14/h1-2,17H,3-5H2
InChIKeyJMFBHEVVNOGYRA-UHFFFAOYSA-N
MW299.70 g/mol
LogP2.54
Rot. Bonds1

About (5-chlorothiophen-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 56795069) has the molecular formula C10H9ClF3NO2S and a molecular weight of 299.70 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID56795069
Molecular FormulaC10H9ClF3NO2S
Molecular Weight299.70 g/mol
Exact Mass299.00
IUPAC Name(5-chlorothiophen-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H9ClF3NO2S/c11-7-2-1-6(18-7)8(16)15-4-3-9(17,5-15)10(12,13)14/h1-2,17H,3-5H2
InChIKeyJMFBHEVVNOGYRA-UHFFFAOYSA-N
XLogP2.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.70
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 56795069) is (5-chlorothiophen-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is JMFBHEVVNOGYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO2S/c11-7-2-1-6(18-7)8(16)15-4-3-9(17,5-15)10(12,13)14/h1-2,17H,3-5H2.
What are the key properties of (5-chlorothiophen-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 299.70 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56795069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).