methyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate

C9H16F3NO3 — CID 63899253

IUPACmethyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate
SMILESCOC(=O)CN(CC(O)C(F)(F)F)C(C)C
InChIInChI=1S/C9H16F3NO3/c1-6(2)13(5-8(15)16-3)4-7(14)9(10,11)12/h6-7,14H,4-5H2,1-3H3
InChIKeyOJHRGUCHIUGFPN-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.79
Rot. Bonds5

About methyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate

methyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate (PubChem CID 63899253) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is methyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate
PubChem CID63899253
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Namemethyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate
SMILESCOC(=O)CN(CC(O)C(F)(F)F)C(C)C
InChIInChI=1S/C9H16F3NO3/c1-6(2)13(5-8(15)16-3)4-7(14)9(10,11)12/h6-7,14H,4-5H2,1-3H3
InChIKeyOJHRGUCHIUGFPN-UHFFFAOYSA-N
XLogP0.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate?
The IUPAC name of methyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate (CID 63899253) is methyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate.
What is the SMILES notation for methyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate?
The canonical SMILES for methyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate is COC(=O)CN(CC(O)C(F)(F)F)C(C)C.
What is the InChIKey of methyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate?
The InChIKey is OJHRGUCHIUGFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-6(2)13(5-8(15)16-3)4-7(14)9(10,11)12/h6-7,14H,4-5H2,1-3H3.
What are the key properties of methyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate?
methyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate has a molecular weight of 243.22 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate is sourced from PubChem (CID 63899253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).