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

C11H17F6NO3 — CID 102722884

IUPACethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(COC(C(F)(F)F)C(F)(F)F)NC(C)C
InChIInChI=1S/C11H17F6NO3/c1-4-20-8(19)7(18-6(2)3)5-21-9(10(12,13)14)11(15,16)17/h6-7,9,18H,4-5H2,1-3H3
InChIKeyNCPXMNJBMDIDHW-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.43
Rot. Bonds7

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

ethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate (PubChem CID 102722884) has the molecular formula C11H17F6NO3 and a molecular weight of 325.25 g/mol. Its IUPAC name is ethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate
PubChem CID102722884
Molecular FormulaC11H17F6NO3
Molecular Weight325.25 g/mol
Exact Mass325.11
IUPAC Nameethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(COC(C(F)(F)F)C(F)(F)F)NC(C)C
InChIInChI=1S/C11H17F6NO3/c1-4-20-8(19)7(18-6(2)3)5-21-9(10(12,13)14)11(15,16)17/h6-7,9,18H,4-5H2,1-3H3
InChIKeyNCPXMNJBMDIDHW-UHFFFAOYSA-N
XLogP2.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(methylamino)propanoate
CID 102722829
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanamide
CID 102722798
ethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate
CID 113427286
2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid
CID 66274629
ethyl 3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanoate
CID 81267797
ethyl 3-(3,5-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propanoate
CID 64729857
ethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate
CID 63029192
ethyl (2S)-2-(propan-2-ylamino)propanoate
CID 45086712
diethyl 2,3-bis(propan-2-ylamino)butanedioate
CID 101067349
ethyl 3-(3-ethoxyphenoxy)-2-(propan-2-ylamino)propanoate
CID 62335987
ethyl 4-butoxy-2-(propan-2-ylamino)butanoate
CID 55143775

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate?
The IUPAC name of ethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate (CID 102722884) is ethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate?
The canonical SMILES for ethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate is CCOC(=O)C(COC(C(F)(F)F)C(F)(F)F)NC(C)C.
What is the InChIKey of ethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate?
The InChIKey is NCPXMNJBMDIDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO3/c1-4-20-8(19)7(18-6(2)3)5-21-9(10(12,13)14)11(15,16)17/h6-7,9,18H,4-5H2,1-3H3.
What are the key properties of ethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate?
ethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate has a molecular weight of 325.25 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 102722884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).