2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide

C8H15F3N2O2 — CID 106841650

IUPAC2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCCCCO)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c9-8(10,11)6-13-7(15)5-12-3-1-2-4-14/h12,14H,1-6H2,(H,13,15)
InChIKeyZYYVFXUYCHSXRG-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.03
Rot. Bonds7

About 2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 106841650) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID106841650
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCCCCO)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c9-8(10,11)6-13-7(15)5-12-3-1-2-4-14/h12,14H,1-6H2,(H,13,15)
InChIKeyZYYVFXUYCHSXRG-UHFFFAOYSA-N
XLogP0.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.03
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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Related Compounds

2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 115325811
3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoic acid
CID 43466550
2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646688
2-(2-ethylsulfonylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 114110989
2-[3-(cyclopropylmethoxy)propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 103603891
N-ethyl-2-(5,5,5-trifluoropentylamino)acetamide
CID 115519146
2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 66091400
N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide
CID 113219586
2-(6-hydroxyhexylamino)-N-(2-methoxyethyl)acetamide
CID 107703585
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113278483
2-(chloroamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 118369505
2-(2-prop-2-enylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 106428073

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 106841650) is 2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCCCCO)NCC(F)(F)F.
What is the InChIKey of 2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZYYVFXUYCHSXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c9-8(10,11)6-13-7(15)5-12-3-1-2-4-14/h12,14H,1-6H2,(H,13,15).
What are the key properties of 2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 228.21 g/mol, XLogP of 0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 106841650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).