2,2,3,3,3-pentafluoro-N-propan-2-ylpropanamide

C6H8F5NO — CID 3578709

IUPAC2,2,3,3,3-pentafluoro-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5NO/c1-3(2)12-4(13)5(7,8)6(9,10)11/h3H,1-2H3,(H,12,13)
InChIKeySEUHGSNLQTVWRL-UHFFFAOYSA-N
MW205.13 g/mol
LogP1.71
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-N-propan-2-ylpropanamide

2,2,3,3,3-pentafluoro-N-propan-2-ylpropanamide (PubChem CID 3578709) has the molecular formula C6H8F5NO and a molecular weight of 205.13 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-propan-2-ylpropanamide
PubChem CID3578709
Molecular FormulaC6H8F5NO
Molecular Weight205.13 g/mol
Exact Mass205.05
IUPAC Name2,2,3,3,3-pentafluoro-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5NO/c1-3(2)12-4(13)5(7,8)6(9,10)11/h3H,1-2H3,(H,12,13)
InChIKeySEUHGSNLQTVWRL-UHFFFAOYSA-N
XLogP1.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.71
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 2,2,3,3,3-pentafluoro-N-propan-2-ylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-propan-2-ylpropanamide (CID 3578709) is 2,2,3,3,3-pentafluoro-N-propan-2-ylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-propan-2-ylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-propan-2-ylpropanamide is CC(C)NC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-propan-2-ylpropanamide?
The InChIKey is SEUHGSNLQTVWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5NO/c1-3(2)12-4(13)5(7,8)6(9,10)11/h3H,1-2H3,(H,12,13).
What are the key properties of 2,2,3,3,3-pentafluoro-N-propan-2-ylpropanamide?
2,2,3,3,3-pentafluoro-N-propan-2-ylpropanamide has a molecular weight of 205.13 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-propan-2-ylpropanamide is sourced from PubChem (CID 3578709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).