N-(2,2,3,3,3-pentafluoropropyl)acetamide

C5H6F5NO — CID 54111123

IUPACN-(2,2,3,3,3-pentafluoropropyl)acetamide
SMILESCC(=O)NCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5NO/c1-3(12)11-2-4(6,7)5(8,9)10/h2H2,1H3,(H,11,12)
InChIKeyNHDSXZHNIUXTMW-UHFFFAOYSA-N
MW191.10 g/mol
LogP1.32
Rot. Bonds2

About N-(2,2,3,3,3-pentafluoropropyl)acetamide

N-(2,2,3,3,3-pentafluoropropyl)acetamide (PubChem CID 54111123) has the molecular formula C5H6F5NO and a molecular weight of 191.10 g/mol. Its IUPAC name is N-(2,2,3,3,3-pentafluoropropyl)acetamide.

Molecular Properties

Compound NameN-(2,2,3,3,3-pentafluoropropyl)acetamide
PubChem CID54111123
Molecular FormulaC5H6F5NO
Molecular Weight191.10 g/mol
Exact Mass191.04
IUPAC NameN-(2,2,3,3,3-pentafluoropropyl)acetamide
SMILESCC(=O)NCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5NO/c1-3(12)11-2-4(6,7)5(8,9)10/h2H2,1H3,(H,11,12)
InChIKeyNHDSXZHNIUXTMW-UHFFFAOYSA-N
XLogP1.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.10
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3,3-pentafluoropropyl)acetamide?
The IUPAC name of N-(2,2,3,3,3-pentafluoropropyl)acetamide (CID 54111123) is N-(2,2,3,3,3-pentafluoropropyl)acetamide.
What is the SMILES notation for N-(2,2,3,3,3-pentafluoropropyl)acetamide?
The canonical SMILES for N-(2,2,3,3,3-pentafluoropropyl)acetamide is CC(=O)NCC(F)(F)C(F)(F)F.
What is the InChIKey of N-(2,2,3,3,3-pentafluoropropyl)acetamide?
The InChIKey is NHDSXZHNIUXTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5NO/c1-3(12)11-2-4(6,7)5(8,9)10/h2H2,1H3,(H,11,12).
What are the key properties of N-(2,2,3,3,3-pentafluoropropyl)acetamide?
N-(2,2,3,3,3-pentafluoropropyl)acetamide has a molecular weight of 191.10 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3,3-pentafluoropropyl)acetamide is sourced from PubChem (CID 54111123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).