2,2,3,3,3-pentafluoro-N-[[4-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]phenyl]methyl]propanamide

C14H10F10N2O2 — CID 91739757

IUPAC2,2,3,3,3-pentafluoro-N-[[4-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]phenyl]methyl]propanamide
SMILESO=C(NCc1ccc(CNC(=O)C(F)(F)C(F)(F)F)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H10F10N2O2/c15-11(16,13(19,20)21)9(27)25-5-7-1-2-8(4-3-7)6-26-10(28)12(17,18)14(22,23)24/h1-4H,5-6H2,(H,25,27)(H,26,28)
InChIKeyRXLFOHGGELIAAR-UHFFFAOYSA-N
MW428.23 g/mol
LogP3.31
Rot. Bonds6

About 2,2,3,3,3-pentafluoro-N-[[4-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]phenyl]methyl]propanamide

2,2,3,3,3-pentafluoro-N-[[4-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]phenyl]methyl]propanamide (PubChem CID 91739757) has the molecular formula C14H10F10N2O2 and a molecular weight of 428.23 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[[4-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[[4-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]phenyl]methyl]propanamide
PubChem CID91739757
Molecular FormulaC14H10F10N2O2
Molecular Weight428.23 g/mol
Exact Mass428.06
IUPAC Name2,2,3,3,3-pentafluoro-N-[[4-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]phenyl]methyl]propanamide
SMILESO=C(NCc1ccc(CNC(=O)C(F)(F)C(F)(F)F)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H10F10N2O2/c15-11(16,13(19,20)21)9(27)25-5-7-1-2-8(4-3-7)6-26-10(28)12(17,18)14(22,23)24/h1-4H,5-6H2,(H,25,27)(H,26,28)
InChIKeyRXLFOHGGELIAAR-UHFFFAOYSA-N
XLogP3.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.23
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Get-73
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CID 94895
N-Benzyl-butyramide
CID 221807
3-Benzylaminopropionamide
CID 85451
N-benzyl-2,2,2-trifluoro-N-methylacetamide
CID 563406
N,N'-bis(4-fluorobenzyl)pentanediamide
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N-(4-fluorobenzyl)pentanamide
CID 1741622
7-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]heptanamide
CID 118721865
N-[(2-fluorophenyl)methyl]-2,2-dimethylbutanamide
CID 121446730

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-[[4-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]phenyl]methyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[[4-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]phenyl]methyl]propanamide (CID 91739757) is 2,2,3,3,3-pentafluoro-N-[[4-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[[4-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[[4-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]phenyl]methyl]propanamide is O=C(NCc1ccc(CNC(=O)C(F)(F)C(F)(F)F)cc1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[[4-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]phenyl]methyl]propanamide?
The InChIKey is RXLFOHGGELIAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F10N2O2/c15-11(16,13(19,20)21)9(27)25-5-7-1-2-8(4-3-7)6-26-10(28)12(17,18)14(22,23)24/h1-4H,5-6H2,(H,25,27)(H,26,28).
What are the key properties of 2,2,3,3,3-pentafluoro-N-[[4-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]phenyl]methyl]propanamide?
2,2,3,3,3-pentafluoro-N-[[4-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]phenyl]methyl]propanamide has a molecular weight of 428.23 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[[4-[(2,2,3,3,3-pentafluoropropanoylamino)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 91739757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).