6-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydronaphthalene-2-sulfinyl chloride

C12H11ClF3NO2S — CID 143368115

IUPAC6-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydronaphthalene-2-sulfinyl chloride
SMILESO=C(NC1CCc2cc(S(=O)Cl)ccc2C1)C(F)(F)F
InChIInChI=1S/C12H11ClF3NO2S/c13-20(19)10-4-2-7-5-9(3-1-8(7)6-10)17-11(18)12(14,15)16/h2,4,6,9H,1,3,5H2,(H,17,18)
InChIKeyNYLXUBFUFKXDMY-UHFFFAOYSA-N
MW325.74 g/mol
LogP2.48
Rot. Bonds2

About 6-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydronaphthalene-2-sulfinyl chloride

6-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydronaphthalene-2-sulfinyl chloride (PubChem CID 143368115) has the molecular formula C12H11ClF3NO2S and a molecular weight of 325.74 g/mol. Its IUPAC name is 6-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydronaphthalene-2-sulfinyl chloride.

Molecular Properties

Compound Name6-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydronaphthalene-2-sulfinyl chloride
PubChem CID143368115
Molecular FormulaC12H11ClF3NO2S
Molecular Weight325.74 g/mol
Exact Mass325.02
IUPAC Name6-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydronaphthalene-2-sulfinyl chloride
SMILESO=C(NC1CCc2cc(S(=O)Cl)ccc2C1)C(F)(F)F
InChIInChI=1S/C12H11ClF3NO2S/c13-20(19)10-4-2-7-5-9(3-1-8(7)6-10)17-11(18)12(14,15)16/h2,4,6,9H,1,3,5H2,(H,17,18)
InChIKeyNYLXUBFUFKXDMY-UHFFFAOYSA-N
XLogP2.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.74
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydronaphthalene-2-sulfinyl chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydronaphthalene-2-sulfinyl chloride?
The IUPAC name of 6-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydronaphthalene-2-sulfinyl chloride (CID 143368115) is 6-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydronaphthalene-2-sulfinyl chloride.
What is the SMILES notation for 6-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydronaphthalene-2-sulfinyl chloride?
The canonical SMILES for 6-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydronaphthalene-2-sulfinyl chloride is O=C(NC1CCc2cc(S(=O)Cl)ccc2C1)C(F)(F)F.
What is the InChIKey of 6-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydronaphthalene-2-sulfinyl chloride?
The InChIKey is NYLXUBFUFKXDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3NO2S/c13-20(19)10-4-2-7-5-9(3-1-8(7)6-10)17-11(18)12(14,15)16/h2,4,6,9H,1,3,5H2,(H,17,18).
What are the key properties of 6-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydronaphthalene-2-sulfinyl chloride?
6-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydronaphthalene-2-sulfinyl chloride has a molecular weight of 325.74 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydronaphthalene-2-sulfinyl chloride is sourced from PubChem (CID 143368115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).