N,2,4-trifluorobutanamide

C4H6F3NO — CID 23290112

IUPACN,2,4-trifluorobutanamide
SMILESO=C(NF)C(F)CCF
InChIInChI=1S/C4H6F3NO/c5-2-1-3(6)4(9)8-7/h3H,1-2H2,(H,8,9)
InChIKeySWUVLYZQPLHYEK-UHFFFAOYSA-N
MW141.09 g/mol
LogP0.68
Rot. Bonds3

About N,2,4-trifluorobutanamide

N,2,4-trifluorobutanamide (PubChem CID 23290112) has the molecular formula C4H6F3NO and a molecular weight of 141.09 g/mol. Its IUPAC name is N,2,4-trifluorobutanamide.

Molecular Properties

Compound NameN,2,4-trifluorobutanamide
PubChem CID23290112
Molecular FormulaC4H6F3NO
Molecular Weight141.09 g/mol
Exact Mass141.04
IUPAC NameN,2,4-trifluorobutanamide
SMILESO=C(NF)C(F)CCF
InChIInChI=1S/C4H6F3NO/c5-2-1-3(6)4(9)8-7/h3H,1-2H2,(H,8,9)
InChIKeySWUVLYZQPLHYEK-UHFFFAOYSA-N
XLogP0.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.09
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,2,4-trifluorobutanamide with MolForge

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

Launch Full Analysis

Related Compounds

carbonic acid;1,3-difluorobutane
CID 87178365
bis(1,3-difluoropropyl) carbonate
CID 87131982
(2S)-4-fluoro-2-methylbutanoic acid
CID 89258003
2-amino-N-fluoropentanediamide
CID 145127573
N-fluoro-2-hydroxyhexanamide
CID 174941191
methyl (2R)-2-amino-4-fluorobutanoate
CID 124512753
N-(2-fluoroethyl)-2-hydroxypropanamide
CID 130657561
3-ethyl-5-fluoropentan-2-one
CID 80696730
2,4,5,6,8-pentafluorooctan-3-one
CID 175417573
[(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium
CID 140645046
(2R)-2-amino-N-(2-fluoroethyl)propanamide
CID 90216538
2,4-difluoro-N-methylbutan-1-amine
CID 147861140

Frequently Asked Questions

What is the IUPAC name of N,2,4-trifluorobutanamide?
The IUPAC name of N,2,4-trifluorobutanamide (CID 23290112) is N,2,4-trifluorobutanamide.
What is the SMILES notation for N,2,4-trifluorobutanamide?
The canonical SMILES for N,2,4-trifluorobutanamide is O=C(NF)C(F)CCF.
What is the InChIKey of N,2,4-trifluorobutanamide?
The InChIKey is SWUVLYZQPLHYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO/c5-2-1-3(6)4(9)8-7/h3H,1-2H2,(H,8,9).
What are the key properties of N,2,4-trifluorobutanamide?
N,2,4-trifluorobutanamide has a molecular weight of 141.09 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trifluorobutanamide is sourced from PubChem (CID 23290112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).