2-(1,1,2,2,3,3,4-heptafluorobutylamino)propanal

C7H8F7NO — CID 173231442

IUPAC2-(1,1,2,2,3,3,4-heptafluorobutylamino)propanal
SMILESCC(C=O)NC(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C7H8F7NO/c1-4(2-16)15-7(13,14)6(11,12)5(9,10)3-8/h2,4,15H,3H2,1H3
InChIKeyGGWRQVISXHYMLL-UHFFFAOYSA-N
MW255.13 g/mol
LogP2.00
Rot. Bonds6

About 2-(1,1,2,2,3,3,4-heptafluorobutylamino)propanal

2-(1,1,2,2,3,3,4-heptafluorobutylamino)propanal (PubChem CID 173231442) has the molecular formula C7H8F7NO and a molecular weight of 255.13 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4-heptafluorobutylamino)propanal.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4-heptafluorobutylamino)propanal
PubChem CID173231442
Molecular FormulaC7H8F7NO
Molecular Weight255.13 g/mol
Exact Mass255.05
IUPAC Name2-(1,1,2,2,3,3,4-heptafluorobutylamino)propanal
SMILESCC(C=O)NC(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C7H8F7NO/c1-4(2-16)15-7(13,14)6(11,12)5(9,10)3-8/h2,4,15H,3H2,1H3
InChIKeyGGWRQVISXHYMLL-UHFFFAOYSA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.13
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,4-heptafluorobutylamino)propanal?
The IUPAC name of 2-(1,1,2,2,3,3,4-heptafluorobutylamino)propanal (CID 173231442) is 2-(1,1,2,2,3,3,4-heptafluorobutylamino)propanal.
What is the SMILES notation for 2-(1,1,2,2,3,3,4-heptafluorobutylamino)propanal?
The canonical SMILES for 2-(1,1,2,2,3,3,4-heptafluorobutylamino)propanal is CC(C=O)NC(F)(F)C(F)(F)C(F)(F)CF.
What is the InChIKey of 2-(1,1,2,2,3,3,4-heptafluorobutylamino)propanal?
The InChIKey is GGWRQVISXHYMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F7NO/c1-4(2-16)15-7(13,14)6(11,12)5(9,10)3-8/h2,4,15H,3H2,1H3.
What are the key properties of 2-(1,1,2,2,3,3,4-heptafluorobutylamino)propanal?
2-(1,1,2,2,3,3,4-heptafluorobutylamino)propanal has a molecular weight of 255.13 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4-heptafluorobutylamino)propanal is sourced from PubChem (CID 173231442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).