N-(5,5,5-trifluoro-2-methylidenepentyl)acetamide

C8H12F3NO — CID 138690569

IUPACN-(5,5,5-trifluoro-2-methylidenepentyl)acetamide
SMILESC=C(CCC(F)(F)F)CNC(C)=O
InChIInChI=1S/C8H12F3NO/c1-6(5-12-7(2)13)3-4-8(9,10)11/h1,3-5H2,2H3,(H,12,13)
InChIKeyNIDSPXPTRNVNRK-UHFFFAOYSA-N
MW195.18 g/mol
LogP2.02
Rot. Bonds4

About N-(5,5,5-trifluoro-2-methylidenepentyl)acetamide

N-(5,5,5-trifluoro-2-methylidenepentyl)acetamide (PubChem CID 138690569) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is N-(5,5,5-trifluoro-2-methylidenepentyl)acetamide.

Molecular Properties

Compound NameN-(5,5,5-trifluoro-2-methylidenepentyl)acetamide
PubChem CID138690569
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC NameN-(5,5,5-trifluoro-2-methylidenepentyl)acetamide
SMILESC=C(CCC(F)(F)F)CNC(C)=O
InChIInChI=1S/C8H12F3NO/c1-6(5-12-7(2)13)3-4-8(9,10)11/h1,3-5H2,2H3,(H,12,13)
InChIKeyNIDSPXPTRNVNRK-UHFFFAOYSA-N
XLogP2.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(5,5,5-trifluoro-2-methylidenepentyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5,5,5-trifluoro-2-methylidenepentyl)acetamide?
The IUPAC name of N-(5,5,5-trifluoro-2-methylidenepentyl)acetamide (CID 138690569) is N-(5,5,5-trifluoro-2-methylidenepentyl)acetamide.
What is the SMILES notation for N-(5,5,5-trifluoro-2-methylidenepentyl)acetamide?
The canonical SMILES for N-(5,5,5-trifluoro-2-methylidenepentyl)acetamide is C=C(CCC(F)(F)F)CNC(C)=O.
What is the InChIKey of N-(5,5,5-trifluoro-2-methylidenepentyl)acetamide?
The InChIKey is NIDSPXPTRNVNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-6(5-12-7(2)13)3-4-8(9,10)11/h1,3-5H2,2H3,(H,12,13).
What are the key properties of N-(5,5,5-trifluoro-2-methylidenepentyl)acetamide?
N-(5,5,5-trifluoro-2-methylidenepentyl)acetamide has a molecular weight of 195.18 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoro-2-methylidenepentyl)acetamide is sourced from PubChem (CID 138690569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).