N-(1-amino-4-hydroxybutan-2-yl)-2,2,2-trifluoroacetamide

C6H11F3N2O2 — CID 156761460

IUPACN-(1-amino-4-hydroxybutan-2-yl)-2,2,2-trifluoroacetamide
SMILESNCC(CCO)NC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c7-6(8,9)5(13)11-4(3-10)1-2-12/h4,12H,1-3,10H2,(H,11,13)
InChIKeyOWZUBORAMGHICQ-UHFFFAOYSA-N
MW200.16 g/mol
LogP-0.63
Rot. Bonds4

About N-(1-amino-4-hydroxybutan-2-yl)-2,2,2-trifluoroacetamide

N-(1-amino-4-hydroxybutan-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 156761460) has the molecular formula C6H11F3N2O2 and a molecular weight of 200.16 g/mol. Its IUPAC name is N-(1-amino-4-hydroxybutan-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-amino-4-hydroxybutan-2-yl)-2,2,2-trifluoroacetamide
PubChem CID156761460
Molecular FormulaC6H11F3N2O2
Molecular Weight200.16 g/mol
Exact Mass200.08
IUPAC NameN-(1-amino-4-hydroxybutan-2-yl)-2,2,2-trifluoroacetamide
SMILESNCC(CCO)NC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c7-6(8,9)5(13)11-4(3-10)1-2-12/h4,12H,1-3,10H2,(H,11,13)
InChIKeyOWZUBORAMGHICQ-UHFFFAOYSA-N
XLogP-0.63
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-hydroxybutan-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-amino-4-hydroxybutan-2-yl)-2,2,2-trifluoroacetamide (CID 156761460) is N-(1-amino-4-hydroxybutan-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-amino-4-hydroxybutan-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-amino-4-hydroxybutan-2-yl)-2,2,2-trifluoroacetamide is NCC(CCO)NC(=O)C(F)(F)F.
What is the InChIKey of N-(1-amino-4-hydroxybutan-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is OWZUBORAMGHICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2/c7-6(8,9)5(13)11-4(3-10)1-2-12/h4,12H,1-3,10H2,(H,11,13).
What are the key properties of N-(1-amino-4-hydroxybutan-2-yl)-2,2,2-trifluoroacetamide?
N-(1-amino-4-hydroxybutan-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 200.16 g/mol, XLogP of -0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-hydroxybutan-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 156761460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).