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

C15H14F3NOS — CID 112777525

IUPAC2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Sc1ccc2ccccc2c1)C(=O)NCC(F)(F)F
InChIInChI=1S/C15H14F3NOS/c1-10(14(20)19-9-15(16,17)18)21-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyPECFLOUUDIHAPA-UHFFFAOYSA-N
MW313.34 g/mol
LogP4.00
Rot. Bonds4

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

2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 112777525) has the molecular formula C15H14F3NOS and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID112777525
Molecular FormulaC15H14F3NOS
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Sc1ccc2ccccc2c1)C(=O)NCC(F)(F)F
InChIInChI=1S/C15H14F3NOS/c1-10(14(20)19-9-15(16,17)18)21-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyPECFLOUUDIHAPA-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.00
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)propanamide?
The IUPAC name of 2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide (CID 112777525) is 2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide is CC(Sc1ccc2ccccc2c1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is PECFLOUUDIHAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NOS/c1-10(14(20)19-9-15(16,17)18)21-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10H,9H2,1H3,(H,19,20).
What are the key properties of 2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
2-naphthalen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 313.34 g/mol, XLogP of 4.00, 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)propanamide is sourced from PubChem (CID 112777525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).