N-[3-(pentafluoro-lambda6-sulfanyl)phenyl]acetamide

C8H8F5NOS — CID 12992036

IUPACN-[3-(pentafluoro-lambda6-sulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C8H8F5NOS/c1-6(15)14-7-3-2-4-8(5-7)16(9,10,11,12)13/h2-5H,1H3,(H,14,15)
InChIKeyDFEAUHMFQHNGRN-UHFFFAOYSA-N
MW261.22 g/mol
LogP4.30
Rot. Bonds2

About N-[3-(pentafluoro-lambda6-sulfanyl)phenyl]acetamide

N-[3-(pentafluoro-lambda6-sulfanyl)phenyl]acetamide (PubChem CID 12992036) has the molecular formula C8H8F5NOS and a molecular weight of 261.22 g/mol. Its IUPAC name is N-[3-(pentafluoro-lambda6-sulfanyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(pentafluoro-lambda6-sulfanyl)phenyl]acetamide
PubChem CID12992036
Molecular FormulaC8H8F5NOS
Molecular Weight261.22 g/mol
Exact Mass261.02
IUPAC NameN-[3-(pentafluoro-lambda6-sulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C8H8F5NOS/c1-6(15)14-7-3-2-4-8(5-7)16(9,10,11,12)13/h2-5H,1H3,(H,14,15)
InChIKeyDFEAUHMFQHNGRN-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3-(pentafluoro-lambda6-sulfanyl)phenyl]acetamide?
The IUPAC name of N-[3-(pentafluoro-lambda6-sulfanyl)phenyl]acetamide (CID 12992036) is N-[3-(pentafluoro-lambda6-sulfanyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(pentafluoro-lambda6-sulfanyl)phenyl]acetamide?
The canonical SMILES for N-[3-(pentafluoro-lambda6-sulfanyl)phenyl]acetamide is CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of N-[3-(pentafluoro-lambda6-sulfanyl)phenyl]acetamide?
The InChIKey is DFEAUHMFQHNGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F5NOS/c1-6(15)14-7-3-2-4-8(5-7)16(9,10,11,12)13/h2-5H,1H3,(H,14,15).
What are the key properties of N-[3-(pentafluoro-lambda6-sulfanyl)phenyl]acetamide?
N-[3-(pentafluoro-lambda6-sulfanyl)phenyl]acetamide has a molecular weight of 261.22 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pentafluoro-lambda6-sulfanyl)phenyl]acetamide is sourced from PubChem (CID 12992036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).