4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide

C7H13F3N2O2 — CID 63900234

IUPAC4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide
SMILESNC(=O)CCCNCC(O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c8-7(9,10)5(13)4-12-3-1-2-6(11)14/h5,12-13H,1-4H2,(H2,11,14)
InChIKeyPRJAXAKDNCFITK-UHFFFAOYSA-N
MW214.19 g/mol
LogP-0.24
Rot. Bonds6

About 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide

4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide (PubChem CID 63900234) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide.

Molecular Properties

Compound Name4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide
PubChem CID63900234
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC Name4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide
SMILESNC(=O)CCCNCC(O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c8-7(9,10)5(13)4-12-3-1-2-6(11)14/h5,12-13H,1-4H2,(H2,11,14)
InChIKeyPRJAXAKDNCFITK-UHFFFAOYSA-N
XLogP-0.24
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide?
The IUPAC name of 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide (CID 63900234) is 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide.
What is the SMILES notation for 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide?
The canonical SMILES for 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide is NC(=O)CCCNCC(O)C(F)(F)F.
What is the InChIKey of 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide?
The InChIKey is PRJAXAKDNCFITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c8-7(9,10)5(13)4-12-3-1-2-6(11)14/h5,12-13H,1-4H2,(H2,11,14).
What are the key properties of 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide?
4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide has a molecular weight of 214.19 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide is sourced from PubChem (CID 63900234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).