2-fluoro-N-[(1R)-2,2,2-trichloro-1-pyridin-2-ylsulfanylethyl]acetamide

C9H8Cl3FN2OS — CID 1211015

IUPAC2-fluoro-N-[(1R)-2,2,2-trichloro-1-pyridin-2-ylsulfanylethyl]acetamide
SMILESO=C(CF)N[C@H](Sc1ccccn1)C(Cl)(Cl)Cl
InChIInChI=1S/C9H8Cl3FN2OS/c10-9(11,12)8(15-6(16)5-13)17-7-3-1-2-4-14-7/h1-4,8H,5H2,(H,15,16)/t8-/m1/s1
InChIKeyRLEXQAGPGPILRT-MRVPVSSYSA-N
MW317.60 g/mol
LogP2.96
Rot. Bonds4

About 2-fluoro-N-[(1R)-2,2,2-trichloro-1-pyridin-2-ylsulfanylethyl]acetamide

2-fluoro-N-[(1R)-2,2,2-trichloro-1-pyridin-2-ylsulfanylethyl]acetamide (PubChem CID 1211015) has the molecular formula C9H8Cl3FN2OS and a molecular weight of 317.60 g/mol. Its IUPAC name is 2-fluoro-N-[(1R)-2,2,2-trichloro-1-pyridin-2-ylsulfanylethyl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[(1R)-2,2,2-trichloro-1-pyridin-2-ylsulfanylethyl]acetamide
PubChem CID1211015
Molecular FormulaC9H8Cl3FN2OS
Molecular Weight317.60 g/mol
Exact Mass315.94
IUPAC Name2-fluoro-N-[(1R)-2,2,2-trichloro-1-pyridin-2-ylsulfanylethyl]acetamide
SMILESO=C(CF)N[C@H](Sc1ccccn1)C(Cl)(Cl)Cl
InChIInChI=1S/C9H8Cl3FN2OS/c10-9(11,12)8(15-6(16)5-13)17-7-3-1-2-4-14-7/h1-4,8H,5H2,(H,15,16)/t8-/m1/s1
InChIKeyRLEXQAGPGPILRT-MRVPVSSYSA-N
XLogP2.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.60
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[(1R)-2,2,2-trichloro-1-pyridin-2-ylsulfanylethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenylthio-N-(3-pyridylmethyl)acetamide
CID 800469
N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide
CID 2303967
N-cyclooctyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2342281
N-cyclohexyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2413718
N-cyclopentyl-2-pyridin-2-ylsulfanylpropanamide
CID 16312597
N-(2-fluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2055031
2-[5-(Trifluoromethyl)pyridin-2-yl]sulfanylacetamide
CID 2727805
Acylglycineboronic acid, 13
CID 9834477
Ethyl [(2-pyridinylthio)acetyl]carbamate
CID 2216794
N-cyclohexyl-N-ethyl-2-pyridin-2-ylsulfanylacetamide
CID 2343430
Methyl 2-{[2-(2-pyridylthio)acetyl]amino}acetate
CID 2729282
N1-phenyl-2-{[5-(trifluoromethyl)-2-pyridyl]thio}acetamide
CID 2744376

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1R)-2,2,2-trichloro-1-pyridin-2-ylsulfanylethyl]acetamide?
The IUPAC name of 2-fluoro-N-[(1R)-2,2,2-trichloro-1-pyridin-2-ylsulfanylethyl]acetamide (CID 1211015) is 2-fluoro-N-[(1R)-2,2,2-trichloro-1-pyridin-2-ylsulfanylethyl]acetamide.
What is the SMILES notation for 2-fluoro-N-[(1R)-2,2,2-trichloro-1-pyridin-2-ylsulfanylethyl]acetamide?
The canonical SMILES for 2-fluoro-N-[(1R)-2,2,2-trichloro-1-pyridin-2-ylsulfanylethyl]acetamide is O=C(CF)N[C@H](Sc1ccccn1)C(Cl)(Cl)Cl.
What is the InChIKey of 2-fluoro-N-[(1R)-2,2,2-trichloro-1-pyridin-2-ylsulfanylethyl]acetamide?
The InChIKey is RLEXQAGPGPILRT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8Cl3FN2OS/c10-9(11,12)8(15-6(16)5-13)17-7-3-1-2-4-14-7/h1-4,8H,5H2,(H,15,16)/t8-/m1/s1.
What are the key properties of 2-fluoro-N-[(1R)-2,2,2-trichloro-1-pyridin-2-ylsulfanylethyl]acetamide?
2-fluoro-N-[(1R)-2,2,2-trichloro-1-pyridin-2-ylsulfanylethyl]acetamide has a molecular weight of 317.60 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1R)-2,2,2-trichloro-1-pyridin-2-ylsulfanylethyl]acetamide is sourced from PubChem (CID 1211015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).