2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C14H12F3NOS — CID 84603433

IUPAC2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1ccc2ccccc2c1)NCC(F)(F)F
InChIInChI=1S/C14H12F3NOS/c15-14(16,17)9-18-13(19)8-20-12-6-5-10-3-1-2-4-11(10)7-12/h1-7H,8-9H2,(H,18,19)
InChIKeyZNDQFSVMUNRQRV-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.61
Rot. Bonds4

About 2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide

2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 84603433) has the molecular formula C14H12F3NOS and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID84603433
Molecular FormulaC14H12F3NOS
Molecular Weight299.32 g/mol
Exact Mass299.06
IUPAC Name2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1ccc2ccccc2c1)NCC(F)(F)F
InChIInChI=1S/C14H12F3NOS/c15-14(16,17)9-18-13(19)8-20-12-6-5-10-3-1-2-4-11(10)7-12/h1-7H,8-9H2,(H,18,19)
InChIKeyZNDQFSVMUNRQRV-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 84603433) is 2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide is O=C(CSc1ccc2ccccc2c1)NCC(F)(F)F.
What is the InChIKey of 2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZNDQFSVMUNRQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NOS/c15-14(16,17)9-18-13(19)8-20-12-6-5-10-3-1-2-4-11(10)7-12/h1-7H,8-9H2,(H,18,19).
What are the key properties of 2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 299.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 84603433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).