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

C10H18F3NO3 — CID 63902331

IUPACethyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate
SMILESCCOC(=O)CN(CC(O)C(F)(F)F)C(C)C
InChIInChI=1S/C10H18F3NO3/c1-4-17-9(16)6-14(7(2)3)5-8(15)10(11,12)13/h7-8,15H,4-6H2,1-3H3
InChIKeyKPBSRYBAWYKGBR-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.18
Rot. Bonds6

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

ethyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate (PubChem CID 63902331) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is ethyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate
PubChem CID63902331
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Nameethyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate
SMILESCCOC(=O)CN(CC(O)C(F)(F)F)C(C)C
InChIInChI=1S/C10H18F3NO3/c1-4-17-9(16)6-14(7(2)3)5-8(15)10(11,12)13/h7-8,15H,4-6H2,1-3H3
InChIKeyKPBSRYBAWYKGBR-UHFFFAOYSA-N
XLogP1.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate?
The IUPAC name of ethyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate (CID 63902331) is ethyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate?
The canonical SMILES for ethyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate is CCOC(=O)CN(CC(O)C(F)(F)F)C(C)C.
What is the InChIKey of ethyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate?
The InChIKey is KPBSRYBAWYKGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-4-17-9(16)6-14(7(2)3)5-8(15)10(11,12)13/h7-8,15H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate?
ethyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate has a molecular weight of 257.25 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propan-2-yl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetate is sourced from PubChem (CID 63902331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).