(5-chlorothiophen-2-yl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone

C10H9ClF3NO2S — CID 121018905

IUPAC(5-chlorothiophen-2-yl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CC(OCC(F)(F)F)C1
InChIInChI=1S/C10H9ClF3NO2S/c11-8-2-1-7(18-8)9(16)15-3-6(4-15)17-5-10(12,13)14/h1-2,6H,3-5H2
InChIKeyQJQBXUUTSNAUHX-UHFFFAOYSA-N
MW299.70 g/mol
LogP2.80
Rot. Bonds3

About (5-chlorothiophen-2-yl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone (PubChem CID 121018905) has the molecular formula C10H9ClF3NO2S and a molecular weight of 299.70 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
PubChem CID121018905
Molecular FormulaC10H9ClF3NO2S
Molecular Weight299.70 g/mol
Exact Mass299.00
IUPAC Name(5-chlorothiophen-2-yl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CC(OCC(F)(F)F)C1
InChIInChI=1S/C10H9ClF3NO2S/c11-8-2-1-7(18-8)9(16)15-3-6(4-15)17-5-10(12,13)14/h1-2,6H,3-5H2
InChIKeyQJQBXUUTSNAUHX-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.70
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-N-(((S)-oxiran-2-yl)methyl)thiophene-2-carboxamide
CID 53235992
4-(5-Chlorothiophene-2-carbonyl)morpholine
CID 2225446
5-chloro-N-(tetrahydro-2H-pyran-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 71796139
(5-Chlorothiophen-2-yl)(4-methoxypiperidin-1-yl)methanone
CID 49720276
5-chloro-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 17217261
(5-Chlorothiophen-2-yl)(3-(4-methoxypiperidin-1-yl)azetidin-1-yl)methanone
CID 122243189
3-[(5-Chloro-thiophene-2-carbonyl)-amino]-2,2-difluoro-propionic acid ethyl ester
CID 69510780
1-(5-Chlorothiophene-2-carbonyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 56795069
5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-carboxamide
CID 60401511
5-chloro-N-(2-cyanoethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 72113522
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propanamide
CID 78874336
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)propanamide
CID 78874388

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone (CID 121018905) is (5-chlorothiophen-2-yl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CC(OCC(F)(F)F)C1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone?
The InChIKey is QJQBXUUTSNAUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO2S/c11-8-2-1-7(18-8)9(16)15-3-6(4-15)17-5-10(12,13)14/h1-2,6H,3-5H2.
What are the key properties of (5-chlorothiophen-2-yl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone has a molecular weight of 299.70 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone is sourced from PubChem (CID 121018905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).