N,N-diethyl-4,5,5,5-tetrafluoro-2-methylidenepentanamide

C10H15F4NO — CID 162547679

IUPACN,N-diethyl-4,5,5,5-tetrafluoro-2-methylidenepentanamide
SMILESC=C(CC(F)C(F)(F)F)C(=O)N(CC)CC
InChIInChI=1S/C10H15F4NO/c1-4-15(5-2)9(16)7(3)6-8(11)10(12,13)14/h8H,3-6H2,1-2H3
InChIKeySAAWKAHUWSDLSM-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.70
Rot. Bonds5

About N,N-diethyl-4,5,5,5-tetrafluoro-2-methylidenepentanamide

N,N-diethyl-4,5,5,5-tetrafluoro-2-methylidenepentanamide (PubChem CID 162547679) has the molecular formula C10H15F4NO and a molecular weight of 241.23 g/mol. Its IUPAC name is N,N-diethyl-4,5,5,5-tetrafluoro-2-methylidenepentanamide.

Molecular Properties

Compound NameN,N-diethyl-4,5,5,5-tetrafluoro-2-methylidenepentanamide
PubChem CID162547679
Molecular FormulaC10H15F4NO
Molecular Weight241.23 g/mol
Exact Mass241.11
IUPAC NameN,N-diethyl-4,5,5,5-tetrafluoro-2-methylidenepentanamide
SMILESC=C(CC(F)C(F)(F)F)C(=O)N(CC)CC
InChIInChI=1S/C10H15F4NO/c1-4-15(5-2)9(16)7(3)6-8(11)10(12,13)14/h8H,3-6H2,1-2H3
InChIKeySAAWKAHUWSDLSM-UHFFFAOYSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,5,5,5-tetrafluoro-2-methylidenepentanamide?
The IUPAC name of N,N-diethyl-4,5,5,5-tetrafluoro-2-methylidenepentanamide (CID 162547679) is N,N-diethyl-4,5,5,5-tetrafluoro-2-methylidenepentanamide.
What is the SMILES notation for N,N-diethyl-4,5,5,5-tetrafluoro-2-methylidenepentanamide?
The canonical SMILES for N,N-diethyl-4,5,5,5-tetrafluoro-2-methylidenepentanamide is C=C(CC(F)C(F)(F)F)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-4,5,5,5-tetrafluoro-2-methylidenepentanamide?
The InChIKey is SAAWKAHUWSDLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F4NO/c1-4-15(5-2)9(16)7(3)6-8(11)10(12,13)14/h8H,3-6H2,1-2H3.
What are the key properties of N,N-diethyl-4,5,5,5-tetrafluoro-2-methylidenepentanamide?
N,N-diethyl-4,5,5,5-tetrafluoro-2-methylidenepentanamide has a molecular weight of 241.23 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,5,5,5-tetrafluoro-2-methylidenepentanamide is sourced from PubChem (CID 162547679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).