N,N-diethyl-4,4,5,5,6,6,6-heptafluorohex-2-ynamide

C10H10F7NO — CID 11098349

IUPACN,N-diethyl-4,4,5,5,6,6,6-heptafluorohex-2-ynamide
SMILESCCN(CC)C(=O)C#CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F7NO/c1-3-18(4-2)7(19)5-6-8(11,12)9(13,14)10(15,16)17/h3-4H2,1-2H3
InChIKeyLOZLEHKZGIBVSR-UHFFFAOYSA-N
MW293.18 g/mol
LogP2.69
Rot. Bonds3

About N,N-diethyl-4,4,5,5,6,6,6-heptafluorohex-2-ynamide

N,N-diethyl-4,4,5,5,6,6,6-heptafluorohex-2-ynamide (PubChem CID 11098349) has the molecular formula C10H10F7NO and a molecular weight of 293.18 g/mol. Its IUPAC name is N,N-diethyl-4,4,5,5,6,6,6-heptafluorohex-2-ynamide.

Molecular Properties

Compound NameN,N-diethyl-4,4,5,5,6,6,6-heptafluorohex-2-ynamide
PubChem CID11098349
Molecular FormulaC10H10F7NO
Molecular Weight293.18 g/mol
Exact Mass293.07
IUPAC NameN,N-diethyl-4,4,5,5,6,6,6-heptafluorohex-2-ynamide
SMILESCCN(CC)C(=O)C#CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F7NO/c1-3-18(4-2)7(19)5-6-8(11,12)9(13,14)10(15,16)17/h3-4H2,1-2H3
InChIKeyLOZLEHKZGIBVSR-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.18
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,4,5,5,6,6,6-heptafluorohex-2-ynamide?
The IUPAC name of N,N-diethyl-4,4,5,5,6,6,6-heptafluorohex-2-ynamide (CID 11098349) is N,N-diethyl-4,4,5,5,6,6,6-heptafluorohex-2-ynamide.
What is the SMILES notation for N,N-diethyl-4,4,5,5,6,6,6-heptafluorohex-2-ynamide?
The canonical SMILES for N,N-diethyl-4,4,5,5,6,6,6-heptafluorohex-2-ynamide is CCN(CC)C(=O)C#CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-diethyl-4,4,5,5,6,6,6-heptafluorohex-2-ynamide?
The InChIKey is LOZLEHKZGIBVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F7NO/c1-3-18(4-2)7(19)5-6-8(11,12)9(13,14)10(15,16)17/h3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4,4,5,5,6,6,6-heptafluorohex-2-ynamide?
N,N-diethyl-4,4,5,5,6,6,6-heptafluorohex-2-ynamide has a molecular weight of 293.18 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,4,5,5,6,6,6-heptafluorohex-2-ynamide is sourced from PubChem (CID 11098349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).