N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide

C6H11F3N2O2 — CID 156761458

IUPACN-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide
SMILESCOCC(CN)NC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c1-13-3-4(2-10)11-5(12)6(7,8)9/h4H,2-3,10H2,1H3,(H,11,12)
InChIKeyROMIKETVBBMJPQ-UHFFFAOYSA-N
MW200.16 g/mol
LogP-0.36
Rot. Bonds4

About N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide

N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 156761458) has the molecular formula C6H11F3N2O2 and a molecular weight of 200.16 g/mol. Its IUPAC name is N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide
PubChem CID156761458
Molecular FormulaC6H11F3N2O2
Molecular Weight200.16 g/mol
Exact Mass200.08
IUPAC NameN-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide
SMILESCOCC(CN)NC(=O)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c1-13-3-4(2-10)11-5(12)6(7,8)9/h4H,2-3,10H2,1H3,(H,11,12)
InChIKeyROMIKETVBBMJPQ-UHFFFAOYSA-N
XLogP-0.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide (CID 156761458) is N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide is COCC(CN)NC(=O)C(F)(F)F.
What is the InChIKey of N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is ROMIKETVBBMJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2/c1-13-3-4(2-10)11-5(12)6(7,8)9/h4H,2-3,10H2,1H3,(H,11,12).
What are the key properties of N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide?
N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 200.16 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxypropan-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 156761458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).