2,2,3,3,3-pentafluoro-N-propylpropanamide

C6H8F5NO — CID 12647416

IUPAC2,2,3,3,3-pentafluoro-N-propylpropanamide
SMILESCCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5NO/c1-2-3-12-4(13)5(7,8)6(9,10)11/h2-3H2,1H3,(H,12,13)
InChIKeyIRIQFSKCRVNDSA-UHFFFAOYSA-N
MW205.13 g/mol
LogP1.71
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-N-propylpropanamide

2,2,3,3,3-pentafluoro-N-propylpropanamide (PubChem CID 12647416) 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-propylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-propylpropanamide
PubChem CID12647416
Molecular FormulaC6H8F5NO
Molecular Weight205.13 g/mol
Exact Mass205.05
IUPAC Name2,2,3,3,3-pentafluoro-N-propylpropanamide
SMILESCCCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5NO/c1-2-3-12-4(13)5(7,8)6(9,10)11/h2-3H2,1H3,(H,12,13)
InChIKeyIRIQFSKCRVNDSA-UHFFFAOYSA-N
XLogP1.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

N-Ethylpropionamide
CID 521324
2,2,2-Trifluoro-N-[4-(2,2,2-trifluoro-acetylamino)-butyl]-acetamide
CID 581000
2,2,2-Trifluoro-N-isopropylacetamide
CID 2305253
2,2,3,3,4,4,4-Heptafluoro-N-(2-methylpropyl)butanamide
CID 534742
N-Butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4196056
N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4218327
2,2,3,3-Tetrafluoro-N-[3-(2,2,3,3-tetrafluoro-propionylamino)-propyl]-propionamide
CID 648167
N-Butyltrifluoroacetamide
CID 283366
2,2,3,3,4,4,4-Heptafluoro-N-hexylbutanamide
CID 540603
N,N'-Bis(heptafluorobutyryl)putrescine
CID 614611
n-Butyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614617
2,2,3,3,4,4,4-Heptafluoro-n-pentylbutanamide
CID 614724

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-propylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-propylpropanamide (CID 12647416) is 2,2,3,3,3-pentafluoro-N-propylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-propylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-propylpropanamide is CCCNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-propylpropanamide?
The InChIKey is IRIQFSKCRVNDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5NO/c1-2-3-12-4(13)5(7,8)6(9,10)11/h2-3H2,1H3,(H,12,13).
What are the key properties of 2,2,3,3,3-pentafluoro-N-propylpropanamide?
2,2,3,3,3-pentafluoro-N-propylpropanamide has a molecular weight of 205.13 g/mol, XLogP of 1.71, 3 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-propylpropanamide is sourced from PubChem (CID 12647416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).