N-butan-2-yl-5,5,5-trifluoro-2-methylidenepentanamide

C10H16F3NO — CID 164554142

IUPACN-butan-2-yl-5,5,5-trifluoro-2-methylidenepentanamide
SMILESC=C(CCC(F)(F)F)C(=O)NC(C)CC
InChIInChI=1S/C10H16F3NO/c1-4-8(3)14-9(15)7(2)5-6-10(11,12)13/h8H,2,4-6H2,1,3H3,(H,14,15)
InChIKeyLLMFXAVLKCKTPS-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.80
Rot. Bonds5

About N-butan-2-yl-5,5,5-trifluoro-2-methylidenepentanamide

N-butan-2-yl-5,5,5-trifluoro-2-methylidenepentanamide (PubChem CID 164554142) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is N-butan-2-yl-5,5,5-trifluoro-2-methylidenepentanamide.

Molecular Properties

Compound NameN-butan-2-yl-5,5,5-trifluoro-2-methylidenepentanamide
PubChem CID164554142
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC NameN-butan-2-yl-5,5,5-trifluoro-2-methylidenepentanamide
SMILESC=C(CCC(F)(F)F)C(=O)NC(C)CC
InChIInChI=1S/C10H16F3NO/c1-4-8(3)14-9(15)7(2)5-6-10(11,12)13/h8H,2,4-6H2,1,3H3,(H,14,15)
InChIKeyLLMFXAVLKCKTPS-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.80
H-Bond Donors ≤ 51
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-butan-2-yl-5,5,5-trifluoro-2-methylidenepentanamide?
The IUPAC name of N-butan-2-yl-5,5,5-trifluoro-2-methylidenepentanamide (CID 164554142) is N-butan-2-yl-5,5,5-trifluoro-2-methylidenepentanamide.
What is the SMILES notation for N-butan-2-yl-5,5,5-trifluoro-2-methylidenepentanamide?
The canonical SMILES for N-butan-2-yl-5,5,5-trifluoro-2-methylidenepentanamide is C=C(CCC(F)(F)F)C(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-5,5,5-trifluoro-2-methylidenepentanamide?
The InChIKey is LLMFXAVLKCKTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-4-8(3)14-9(15)7(2)5-6-10(11,12)13/h8H,2,4-6H2,1,3H3,(H,14,15).
What are the key properties of N-butan-2-yl-5,5,5-trifluoro-2-methylidenepentanamide?
N-butan-2-yl-5,5,5-trifluoro-2-methylidenepentanamide has a molecular weight of 223.24 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5,5,5-trifluoro-2-methylidenepentanamide is sourced from PubChem (CID 164554142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).