N,N-dibutyl-3,3,3-trifluoropropanamide

C11H20F3NO — CID 11379443

IUPACN,N-dibutyl-3,3,3-trifluoropropanamide
SMILESCCCCN(CCCC)C(=O)CC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-3-5-7-15(8-6-4-2)10(16)9-11(12,13)14/h3-9H2,1-2H3
InChIKeyVFOUOYAJUDWKQV-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.37
Rot. Bonds7

About N,N-dibutyl-3,3,3-trifluoropropanamide

N,N-dibutyl-3,3,3-trifluoropropanamide (PubChem CID 11379443) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N,N-dibutyl-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN,N-dibutyl-3,3,3-trifluoropropanamide
PubChem CID11379443
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN,N-dibutyl-3,3,3-trifluoropropanamide
SMILESCCCCN(CCCC)C(=O)CC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-3-5-7-15(8-6-4-2)10(16)9-11(12,13)14/h3-9H2,1-2H3
InChIKeyVFOUOYAJUDWKQV-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dibutyl-3,3,3-trifluoropropanamide 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,N-dibutyl-3,3,3-trifluoropropanamide?
The IUPAC name of N,N-dibutyl-3,3,3-trifluoropropanamide (CID 11379443) is N,N-dibutyl-3,3,3-trifluoropropanamide.
What is the SMILES notation for N,N-dibutyl-3,3,3-trifluoropropanamide?
The canonical SMILES for N,N-dibutyl-3,3,3-trifluoropropanamide is CCCCN(CCCC)C(=O)CC(F)(F)F.
What is the InChIKey of N,N-dibutyl-3,3,3-trifluoropropanamide?
The InChIKey is VFOUOYAJUDWKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-3-5-7-15(8-6-4-2)10(16)9-11(12,13)14/h3-9H2,1-2H3.
What are the key properties of N,N-dibutyl-3,3,3-trifluoropropanamide?
N,N-dibutyl-3,3,3-trifluoropropanamide has a molecular weight of 239.28 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3,3,3-trifluoropropanamide is sourced from PubChem (CID 11379443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).