2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanesulfonyl chloride

C13H10ClF3O3S — CID 114827454

IUPAC2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanesulfonyl chloride
SMILESCOc1ccc2cc(C(C(F)(F)F)S(=O)(=O)Cl)ccc2c1
InChIInChI=1S/C13H10ClF3O3S/c1-20-11-5-4-8-6-10(3-2-9(8)7-11)12(13(15,16)17)21(14,18)19/h2-7,12H,1H3
InChIKeyKQWIJVZEJJWCSG-UHFFFAOYSA-N
MW338.73 g/mol
LogP4.02
Rot. Bonds3

About 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanesulfonyl chloride

2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanesulfonyl chloride (PubChem CID 114827454) has the molecular formula C13H10ClF3O3S and a molecular weight of 338.73 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanesulfonyl chloride
PubChem CID114827454
Molecular FormulaC13H10ClF3O3S
Molecular Weight338.73 g/mol
Exact Mass338.00
IUPAC Name2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanesulfonyl chloride
SMILESCOc1ccc2cc(C(C(F)(F)F)S(=O)(=O)Cl)ccc2c1
InChIInChI=1S/C13H10ClF3O3S/c1-20-11-5-4-8-6-10(3-2-9(8)7-11)12(13(15,16)17)21(14,18)19/h2-7,12H,1H3
InChIKeyKQWIJVZEJJWCSG-UHFFFAOYSA-N
XLogP4.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.73
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanesulfonyl chloride?
The IUPAC name of 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanesulfonyl chloride (CID 114827454) is 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanesulfonyl chloride?
The canonical SMILES for 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanesulfonyl chloride is COc1ccc2cc(C(C(F)(F)F)S(=O)(=O)Cl)ccc2c1.
What is the InChIKey of 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanesulfonyl chloride?
The InChIKey is KQWIJVZEJJWCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3O3S/c1-20-11-5-4-8-6-10(3-2-9(8)7-11)12(13(15,16)17)21(14,18)19/h2-7,12H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanesulfonyl chloride?
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanesulfonyl chloride has a molecular weight of 338.73 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanesulfonyl chloride is sourced from PubChem (CID 114827454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).