4,4,5,5,5-pentafluoro-N-methoxy-N-methylpentanamide

C7H10F5NO2 — CID 86679021

IUPAC4,4,5,5,5-pentafluoro-N-methoxy-N-methylpentanamide
SMILESCON(C)C(=O)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F5NO2/c1-13(15-2)5(14)3-4-6(8,9)7(10,11)12/h3-4H2,1-2H3
InChIKeyDQPRRXFKNCJAOT-UHFFFAOYSA-N
MW235.15 g/mol
LogP1.98
Rot. Bonds4

About 4,4,5,5,5-pentafluoro-N-methoxy-N-methylpentanamide

4,4,5,5,5-pentafluoro-N-methoxy-N-methylpentanamide (PubChem CID 86679021) has the molecular formula C7H10F5NO2 and a molecular weight of 235.15 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoro-N-methoxy-N-methylpentanamide.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoro-N-methoxy-N-methylpentanamide
PubChem CID86679021
Molecular FormulaC7H10F5NO2
Molecular Weight235.15 g/mol
Exact Mass235.06
IUPAC Name4,4,5,5,5-pentafluoro-N-methoxy-N-methylpentanamide
SMILESCON(C)C(=O)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F5NO2/c1-13(15-2)5(14)3-4-6(8,9)7(10,11)12/h3-4H2,1-2H3
InChIKeyDQPRRXFKNCJAOT-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-N-methoxy-N-methylpropanamide
CID 58736313
Propanamide, 2,3,3,3-tetrafluoro-N-methoxy-N-methyl-
CID 11159785
3,3-Difluoro-n-methoxy-n-methylcyclobutanecarboxamide
CID 87068234
rel-(1R,2R)-N-Methoxy-N-methyl-2-(trifluoromethyl)cyclopropanecarboxamide
CID 73977786
N-methoxy-N-methylpentanamide
CID 3801384
4,4,4-trifluoro-N-methoxy-N-methylbutanamide
CID 22507277
3,3,3-Trifluoro-N-methoxy-N-methylpropanamide
CID 53403832
5,5,5-trifluoro-N-methoxy-N-methylpentanamide
CID 87257309
2,2,4,4-tetrafluoro-N-methoxy-N-methylpentanamide
CID 90124629
2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide
CID 90125054
trans-N-Methoxy-N-methyl-2-(trifluoromethyl)cyclopropanecarboxamide
CID 91658732
2,2,3,3-tetrafluoro-N-methoxy-N-methylpropanamide
CID 103732400

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,5-pentafluoro-N-methoxy-N-methylpentanamide?
The IUPAC name of 4,4,5,5,5-pentafluoro-N-methoxy-N-methylpentanamide (CID 86679021) is 4,4,5,5,5-pentafluoro-N-methoxy-N-methylpentanamide.
What is the SMILES notation for 4,4,5,5,5-pentafluoro-N-methoxy-N-methylpentanamide?
The canonical SMILES for 4,4,5,5,5-pentafluoro-N-methoxy-N-methylpentanamide is CON(C)C(=O)CCC(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,5-pentafluoro-N-methoxy-N-methylpentanamide?
The InChIKey is DQPRRXFKNCJAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F5NO2/c1-13(15-2)5(14)3-4-6(8,9)7(10,11)12/h3-4H2,1-2H3.
What are the key properties of 4,4,5,5,5-pentafluoro-N-methoxy-N-methylpentanamide?
4,4,5,5,5-pentafluoro-N-methoxy-N-methylpentanamide has a molecular weight of 235.15 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoro-N-methoxy-N-methylpentanamide is sourced from PubChem (CID 86679021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).