N,N-diethyl-3,3,4,4,4-pentafluoro-2-methylbutanamide

C9H14F5NO — CID 23236512

IUPACN,N-diethyl-3,3,4,4,4-pentafluoro-2-methylbutanamide
SMILESCCN(CC)C(=O)C(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H14F5NO/c1-4-15(5-2)7(16)6(3)8(10,11)9(12,13)14/h6H,4-5H2,1-3H3
InChIKeyKEEDJQABSPPBNX-UHFFFAOYSA-N
MW247.21 g/mol
LogP2.69
Rot. Bonds4

About N,N-diethyl-3,3,4,4,4-pentafluoro-2-methylbutanamide

N,N-diethyl-3,3,4,4,4-pentafluoro-2-methylbutanamide (PubChem CID 23236512) has the molecular formula C9H14F5NO and a molecular weight of 247.21 g/mol. Its IUPAC name is N,N-diethyl-3,3,4,4,4-pentafluoro-2-methylbutanamide.

Molecular Properties

Compound NameN,N-diethyl-3,3,4,4,4-pentafluoro-2-methylbutanamide
PubChem CID23236512
Molecular FormulaC9H14F5NO
Molecular Weight247.21 g/mol
Exact Mass247.10
IUPAC NameN,N-diethyl-3,3,4,4,4-pentafluoro-2-methylbutanamide
SMILESCCN(CC)C(=O)C(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H14F5NO/c1-4-15(5-2)7(16)6(3)8(10,11)9(12,13)14/h6H,4-5H2,1-3H3
InChIKeyKEEDJQABSPPBNX-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,3,4,4,4-pentafluoro-2-methylbutanamide?
The IUPAC name of N,N-diethyl-3,3,4,4,4-pentafluoro-2-methylbutanamide (CID 23236512) is N,N-diethyl-3,3,4,4,4-pentafluoro-2-methylbutanamide.
What is the SMILES notation for N,N-diethyl-3,3,4,4,4-pentafluoro-2-methylbutanamide?
The canonical SMILES for N,N-diethyl-3,3,4,4,4-pentafluoro-2-methylbutanamide is CCN(CC)C(=O)C(C)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-diethyl-3,3,4,4,4-pentafluoro-2-methylbutanamide?
The InChIKey is KEEDJQABSPPBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F5NO/c1-4-15(5-2)7(16)6(3)8(10,11)9(12,13)14/h6H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3,3,4,4,4-pentafluoro-2-methylbutanamide?
N,N-diethyl-3,3,4,4,4-pentafluoro-2-methylbutanamide has a molecular weight of 247.21 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,3,4,4,4-pentafluoro-2-methylbutanamide is sourced from PubChem (CID 23236512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).