N-butyl-2-methyl-N-(trifluoromethyl)butanamide

C10H18F3NO — CID 44550872

IUPACN-butyl-2-methyl-N-(trifluoromethyl)butanamide
SMILESCCCCN(C(=O)C(C)CC)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-4-6-7-14(10(11,12)13)9(15)8(3)5-2/h8H,4-7H2,1-3H3
InChIKeyGQIISXSWDXSOBL-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.18
Rot. Bonds5

About N-butyl-2-methyl-N-(trifluoromethyl)butanamide

N-butyl-2-methyl-N-(trifluoromethyl)butanamide (PubChem CID 44550872) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-butyl-2-methyl-N-(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN-butyl-2-methyl-N-(trifluoromethyl)butanamide
PubChem CID44550872
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-butyl-2-methyl-N-(trifluoromethyl)butanamide
SMILESCCCCN(C(=O)C(C)CC)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-4-6-7-14(10(11,12)13)9(15)8(3)5-2/h8H,4-7H2,1-3H3
InChIKeyGQIISXSWDXSOBL-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-N-(trifluoromethyl)butanamide?
The IUPAC name of N-butyl-2-methyl-N-(trifluoromethyl)butanamide (CID 44550872) is N-butyl-2-methyl-N-(trifluoromethyl)butanamide.
What is the SMILES notation for N-butyl-2-methyl-N-(trifluoromethyl)butanamide?
The canonical SMILES for N-butyl-2-methyl-N-(trifluoromethyl)butanamide is CCCCN(C(=O)C(C)CC)C(F)(F)F.
What is the InChIKey of N-butyl-2-methyl-N-(trifluoromethyl)butanamide?
The InChIKey is GQIISXSWDXSOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-4-6-7-14(10(11,12)13)9(15)8(3)5-2/h8H,4-7H2,1-3H3.
What are the key properties of N-butyl-2-methyl-N-(trifluoromethyl)butanamide?
N-butyl-2-methyl-N-(trifluoromethyl)butanamide has a molecular weight of 225.25 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-N-(trifluoromethyl)butanamide is sourced from PubChem (CID 44550872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).