N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C8H11F6NO — CID 2748453

IUPACN-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCCCCNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO/c1-2-3-4-15-6(16)5(7(9,10)11)8(12,13)14/h5H,2-4H2,1H3,(H,15,16)
InChIKeyNZYLHAAYRSPYMJ-UHFFFAOYSA-N
MW251.17 g/mol
LogP2.64
Rot. Bonds4

About N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 2748453) has the molecular formula C8H11F6NO and a molecular weight of 251.17 g/mol. Its IUPAC name is N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID2748453
Molecular FormulaC8H11F6NO
Molecular Weight251.17 g/mol
Exact Mass251.07
IUPAC NameN-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCCCCNC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO/c1-2-3-4-15-6(16)5(7(9,10)11)8(12,13)14/h5H,2-4H2,1H3,(H,15,16)
InChIKeyNZYLHAAYRSPYMJ-UHFFFAOYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-N-(6-hydroxyhexyl)-2-(trifluoromethyl)propanamide
CID 107844083
N,N'-dibutyl-2-fluoropropanediamide
CID 141391063
3,3,3-trifluoro-N-(2-fluoro-2-methylpropyl)-2-(trifluoromethyl)propanamide
CID 23235143
(2S)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]hexanoic acid
CID 107144480
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
N-butyl-2-silylpropanamide
CID 123860399
1-butyl-3-(4,4,4-trifluorobutyl)urea
CID 115663087
N-butyl-3-[[3-(butylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanamide
CID 87073378
(2R,3S)-N,N'-dibutyl-2,3-bis(trimethylsilyl)butanediamide
CID 10667035
butylcarbamic acid
CID 3026651
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 2748453) is N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is CCCCNC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is NZYLHAAYRSPYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO/c1-2-3-4-15-6(16)5(7(9,10)11)8(12,13)14/h5H,2-4H2,1H3,(H,15,16).
What are the key properties of N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 251.17 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 2748453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).