N-butyl-N-(trifluoromethyl)hexanamide

C11H20F3NO — CID 44550869

IUPACN-butyl-N-(trifluoromethyl)hexanamide
SMILESCCCCCC(=O)N(CCCC)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-3-5-7-8-10(16)15(9-6-4-2)11(12,13)14/h3-9H2,1-2H3
InChIKeyIDZBVXUIUXBFSW-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.72
Rot. Bonds7

About N-butyl-N-(trifluoromethyl)hexanamide

N-butyl-N-(trifluoromethyl)hexanamide (PubChem CID 44550869) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-butyl-N-(trifluoromethyl)hexanamide.

Molecular Properties

Compound NameN-butyl-N-(trifluoromethyl)hexanamide
PubChem CID44550869
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-butyl-N-(trifluoromethyl)hexanamide
SMILESCCCCCC(=O)N(CCCC)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-3-5-7-8-10(16)15(9-6-4-2)11(12,13)14/h3-9H2,1-2H3
InChIKeyIDZBVXUIUXBFSW-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dibutylhexanamide
CID 304113
N,N-Dipropylhexanamide
CID 221999
N,N-dipropylpentanamide
CID 304102
N,N-Dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 617533
N,N-Diethylhexanamide
CID 221977
N,N-Diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 2748487
N,N-di-(n-Undecyl)heptafluorobutanamide
CID 631749
N,N-Diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 3660287
Heptanamide, N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-
CID 4379511
n,n-Diethylpentanamide
CID 285599
N,N-diethylheptanamide
CID 304083
N,N-dibutylpentanamide
CID 304103

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(trifluoromethyl)hexanamide?
The IUPAC name of N-butyl-N-(trifluoromethyl)hexanamide (CID 44550869) is N-butyl-N-(trifluoromethyl)hexanamide.
What is the SMILES notation for N-butyl-N-(trifluoromethyl)hexanamide?
The canonical SMILES for N-butyl-N-(trifluoromethyl)hexanamide is CCCCCC(=O)N(CCCC)C(F)(F)F.
What is the InChIKey of N-butyl-N-(trifluoromethyl)hexanamide?
The InChIKey is IDZBVXUIUXBFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-3-5-7-8-10(16)15(9-6-4-2)11(12,13)14/h3-9H2,1-2H3.
What are the key properties of N-butyl-N-(trifluoromethyl)hexanamide?
N-butyl-N-(trifluoromethyl)hexanamide has a molecular weight of 239.28 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(trifluoromethyl)hexanamide is sourced from PubChem (CID 44550869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).