3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanamide

C7H10F6N2O2 — CID 102722798

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanamide
SMILESCNC(COC(C(F)(F)F)C(F)(F)F)C(N)=O
InChIInChI=1S/C7H10F6N2O2/c1-15-3(4(14)16)2-17-5(6(8,9)10)7(11,12)13/h3,5,15H,2H2,1H3,(H2,14,16)
InChIKeyHOXLGTNALTUZCQ-UHFFFAOYSA-N
MW268.16 g/mol
LogP0.57
Rot. Bonds5

About 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanamide

3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanamide (PubChem CID 102722798) has the molecular formula C7H10F6N2O2 and a molecular weight of 268.16 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanamide.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanamide
PubChem CID102722798
Molecular FormulaC7H10F6N2O2
Molecular Weight268.16 g/mol
Exact Mass268.06
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanamide
SMILESCNC(COC(C(F)(F)F)C(F)(F)F)C(N)=O
InChIInChI=1S/C7H10F6N2O2/c1-15-3(4(14)16)2-17-5(6(8,9)10)7(11,12)13/h3,5,15H,2H2,1H3,(H2,14,16)
InChIKeyHOXLGTNALTUZCQ-UHFFFAOYSA-N
XLogP0.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanoate
CID 102722829
(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 89152720
methyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate
CID 102722814
ethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate
CID 102722884
2,5-bis(methylamino)hexanediamide
CID 66221520
3-hydroxy-2-(methylamino)propanamide
CID 14241499
(2S)-3-hydroxy-2-(methylamino)propanamide
CID 10486833
2-cyclopropyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanamide
CID 102722847
2-(methylamino)-4-propan-2-yloxybutanamide
CID 63041361
2-(methylamino)-3-(2-methylpentoxy)propanamide
CID 103284904
2-(methylamino)-3-methylsulfanylpropanamide
CID 54146412
(2R)-4-methyl-2-(methylamino)pentanamide
CID 89050865

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanamide?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanamide (CID 102722798) is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanamide.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanamide?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanamide is CNC(COC(C(F)(F)F)C(F)(F)F)C(N)=O.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanamide?
The InChIKey is HOXLGTNALTUZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6N2O2/c1-15-3(4(14)16)2-17-5(6(8,9)10)7(11,12)13/h3,5,15H,2H2,1H3,(H2,14,16).
What are the key properties of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanamide?
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanamide has a molecular weight of 268.16 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanamide is sourced from PubChem (CID 102722798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).