methyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate

C10H15F6NO3 — CID 102722814

IUPACmethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate
SMILESCOC(=O)C(COC(C(F)(F)F)C(F)(F)F)NC(C)C
InChIInChI=1S/C10H15F6NO3/c1-5(2)17-6(7(18)19-3)4-20-8(9(11,12)13)10(14,15)16/h5-6,8,17H,4H2,1-3H3
InChIKeyUOOBLQGDZDGCOP-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.04
Rot. Bonds6

About methyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate

methyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate (PubChem CID 102722814) has the molecular formula C10H15F6NO3 and a molecular weight of 311.22 g/mol. Its IUPAC name is methyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate
PubChem CID102722814
Molecular FormulaC10H15F6NO3
Molecular Weight311.22 g/mol
Exact Mass311.10
IUPAC Namemethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate
SMILESCOC(=O)C(COC(C(F)(F)F)C(F)(F)F)NC(C)C
InChIInChI=1S/C10H15F6NO3/c1-5(2)17-6(7(18)19-3)4-20-8(9(11,12)13)10(14,15)16/h5-6,8,17H,4H2,1-3H3
InChIKeyUOOBLQGDZDGCOP-UHFFFAOYSA-N
XLogP2.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate
CID 102722884
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanamide
CID 102722798
ethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanoate
CID 102722829
2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid
CID 66274629
methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583
methyl 4-hydroxy-2-(propan-2-ylamino)butanoate
CID 105436141
methyl 4-amino-2-(propan-2-ylamino)butanoate
CID 105435859
methyl 2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate
CID 66277657
methyl 4-methoxy-2-(propan-2-ylamino)butanoate
CID 63038753
methyl 2-methylbutanoate;1,1,1-trifluoroethane
CID 91439197
methyl 2-methyl-4-(propan-2-ylamino)pentanoate
CID 104646065
1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-one
CID 102722495

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate?
The IUPAC name of methyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate (CID 102722814) is methyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for methyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate?
The canonical SMILES for methyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate is COC(=O)C(COC(C(F)(F)F)C(F)(F)F)NC(C)C.
What is the InChIKey of methyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate?
The InChIKey is UOOBLQGDZDGCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6NO3/c1-5(2)17-6(7(18)19-3)4-20-8(9(11,12)13)10(14,15)16/h5-6,8,17H,4H2,1-3H3.
What are the key properties of methyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate?
methyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate has a molecular weight of 311.22 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 102722814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).