N,N-diethyl-4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanamide

C10H13F8NO — CID 23266384

IUPACN,N-diethyl-4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanamide
SMILESCCN(CC)C(=O)C(CC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F8NO/c1-3-19(4-2)7(20)6(9(13,14)15)5-8(11,12)10(16,17)18/h6H,3-5H2,1-2H3
InChIKeyPOSSDYMGQOICJB-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.62
Rot. Bonds5

About N,N-diethyl-4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanamide

N,N-diethyl-4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanamide (PubChem CID 23266384) has the molecular formula C10H13F8NO and a molecular weight of 315.20 g/mol. Its IUPAC name is N,N-diethyl-4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanamide.

Molecular Properties

Compound NameN,N-diethyl-4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanamide
PubChem CID23266384
Molecular FormulaC10H13F8NO
Molecular Weight315.20 g/mol
Exact Mass315.09
IUPAC NameN,N-diethyl-4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanamide
SMILESCCN(CC)C(=O)C(CC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F8NO/c1-3-19(4-2)7(20)6(9(13,14)15)5-8(11,12)10(16,17)18/h6H,3-5H2,1-2H3
InChIKeyPOSSDYMGQOICJB-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,4-Heptafluoro-N,N-bis(2-methylpropyl)butanamide
CID 4606680
N,N-Diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 3660287
N,N-di-n-Pentylheptafluorobutyramide
CID 617537
N,N-dimethyl-2-(trifluoromethyl)pentanamide
CID 87943256
2,2,2-Trifluoro-1-(cis-3-fluoro-5-methylpiperidin-1-yl)ethan-1-one
CID 134827930
Heptafluorobutanamide, N,N-bis(2-ethylhexyl)-
CID 532978
N-butyl-2-methyl-N-(trifluoromethyl)butanamide
CID 44550872
N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide
CID 44550873
2,2,2-Trifluoro-1-(cis-4-fluoro-3-methylpiperidin-1-yl)ethan-1-one
CID 134827923
1-Methyl-5-(trifluoromethyl)piperidin-2-one
CID 135025195
(2S)-N,N-dimethyl-2-(trifluoromethyl)pentanamide
CID 146165236
2,2,2-trifluoro-1-[(3S,5R)-3-fluoro-5-methylpiperidin-1-yl]ethanone
CID 177853588

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanamide?
The IUPAC name of N,N-diethyl-4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanamide (CID 23266384) is N,N-diethyl-4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanamide.
What is the SMILES notation for N,N-diethyl-4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanamide?
The canonical SMILES for N,N-diethyl-4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanamide is CCN(CC)C(=O)C(CC(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N,N-diethyl-4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanamide?
The InChIKey is POSSDYMGQOICJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F8NO/c1-3-19(4-2)7(20)6(9(13,14)15)5-8(11,12)10(16,17)18/h6H,3-5H2,1-2H3.
What are the key properties of N,N-diethyl-4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanamide?
N,N-diethyl-4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanamide has a molecular weight of 315.20 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanamide is sourced from PubChem (CID 23266384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).