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

C10H9ClF3NO2S — CID 95635662

IUPAC(5-chlorothiophen-2-yl)-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CC[C@](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/t9-/m1/s1
InChIKeyJMFBHEVVNOGYRA-SECBINFHSA-N
MW299.70 g/mol
LogP2.54
Rot. Bonds1

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

(5-chlorothiophen-2-yl)-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 95635662) has the molecular formula C10H9ClF3NO2S and a molecular weight of 299.70 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID95635662
Molecular FormulaC10H9ClF3NO2S
Molecular Weight299.70 g/mol
Exact Mass299.00
IUPAC Name(5-chlorothiophen-2-yl)-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CC[C@](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/t9-/m1/s1
InChIKeyJMFBHEVVNOGYRA-SECBINFHSA-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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Related Compounds

(5-Chlorothiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 1247382
((3R*,4R*)-1-[(5-chloro-2-thienyl)carbonyl]-4-{[(2-methoxyethyl)(methyl)amino]methyl}-3-pyrrolidinyl)methanol
CID 72847719
5-chloro-N-[2-hydroxy-2-methyl-4-(methylsulfanyl)butyl]thiophene-2-carboxamide
CID 71787284
5-chloro-N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 49717050
(5-Chlorothiophen-2-yl)(3-(2,2,2-trifluoroethoxy)azetidin-1-yl)methanone
CID 121018905
3-Chloro-N-(3-hydroxy-3-methylbutyl)-N-methylthiophene-2-carboxamide
CID 124217465
(3S,4R)-3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 69106684
(3R,4S)-3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 69106712
3-[(5-Chloro-thiophene-2-carbonyl)-amino]-2,2-difluoro-propionic acid
CID 69509545
5-chloro-thiophene-2-carboxylic acid ((S)-1-pyrrolidin-3-ylmethyl)-amide trifluoro acetate
CID 131728399
(3S,4S)-5-chloro-thiophene-2-carboxylic acid (4-hydroxy-pyrrolidin-3-ylmethyl)-amide trifluoro acetate
CID 131728408
5-chloro-N-[[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 141159486

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 95635662) is (5-chlorothiophen-2-yl)-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CC[C@](O)(C(F)(F)F)C1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is JMFBHEVVNOGYRA-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of (5-chlorothiophen-2-yl)-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[(3R)-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)-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95635662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).