3-(3,3,3-trifluoropropylamino)butanamide

C7H13F3N2O — CID 115677417

IUPAC3-(3,3,3-trifluoropropylamino)butanamide
SMILESCC(CC(N)=O)NCCC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-5(4-6(11)13)12-3-2-7(8,9)10/h5,12H,2-4H2,1H3,(H2,11,13)
InChIKeyVFBKABZKTQDCFF-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.79
Rot. Bonds5

About 3-(3,3,3-trifluoropropylamino)butanamide

3-(3,3,3-trifluoropropylamino)butanamide (PubChem CID 115677417) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropylamino)butanamide.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropylamino)butanamide
PubChem CID115677417
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name3-(3,3,3-trifluoropropylamino)butanamide
SMILESCC(CC(N)=O)NCCC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-5(4-6(11)13)12-3-2-7(8,9)10/h5,12H,2-4H2,1H3,(H2,11,13)
InChIKeyVFBKABZKTQDCFF-UHFFFAOYSA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(3,3,3-trifluoropropylamino)butanamide
CID 115727214
methyl 2-(3,3,3-trifluoropropylamino)propanoate
CID 63226175
3-[(4-amino-4-oxobutan-2-yl)amino]-2,2-difluoropropanoic acid
CID 165465811
3-(propylamino)butanamide
CID 54855476
3-(ethylamino)butanamide
CID 18792210
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
3-(2-sulfamoylethylamino)butanamide
CID 114385219
3-(2-cyclobutylethylamino)butanamide
CID 115893474
3-(2-methylpropylamino)butanamide
CID 90751378
3-(2-ethylsulfanylethylamino)butanamide
CID 104668703
3-(2-propoxyethylamino)butanamide
CID 106452583
3-(3-cyanopropylamino)butanamide
CID 104537137

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropylamino)butanamide?
The IUPAC name of 3-(3,3,3-trifluoropropylamino)butanamide (CID 115677417) is 3-(3,3,3-trifluoropropylamino)butanamide.
What is the SMILES notation for 3-(3,3,3-trifluoropropylamino)butanamide?
The canonical SMILES for 3-(3,3,3-trifluoropropylamino)butanamide is CC(CC(N)=O)NCCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropylamino)butanamide?
The InChIKey is VFBKABZKTQDCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-5(4-6(11)13)12-3-2-7(8,9)10/h5,12H,2-4H2,1H3,(H2,11,13).
What are the key properties of 3-(3,3,3-trifluoropropylamino)butanamide?
3-(3,3,3-trifluoropropylamino)butanamide has a molecular weight of 198.19 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropylamino)butanamide is sourced from PubChem (CID 115677417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).