2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid

C11H12F3NO5 — CID 61328447

IUPAC2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C11H12F3NO5/c12-11(13,14)7-15(4-8-2-1-3-20-8)9(16)5-19-6-10(17)18/h1-3H,4-7H2,(H,17,18)
InChIKeyULLDNEHSFRAWEZ-UHFFFAOYSA-N
MW295.21 g/mol
LogP1.27
Rot. Bonds7

About 2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid

2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 61328447) has the molecular formula C11H12F3NO5 and a molecular weight of 295.21 g/mol. Its IUPAC name is 2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
PubChem CID61328447
Molecular FormulaC11H12F3NO5
Molecular Weight295.21 g/mol
Exact Mass295.07
IUPAC Name2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C11H12F3NO5/c12-11(13,14)7-15(4-8-2-1-3-20-8)9(16)5-19-6-10(17)18/h1-3H,4-7H2,(H,17,18)
InChIKeyULLDNEHSFRAWEZ-UHFFFAOYSA-N
XLogP1.27
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60611370
2-[[ethyl(furan-2-ylmethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263712
2-[1-(aminomethyl)cyclobutyl]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81171860
2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 79793559
2-amino-N-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 60937580
4-amino-5-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
CID 64890856
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901
N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 78874055
N-(furan-2-ylmethyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 60519726
3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62728690
N-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 134032635
N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54877126

Frequently Asked Questions

What is the IUPAC name of 2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid (CID 61328447) is 2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)N(Cc1ccco1)CC(F)(F)F.
What is the InChIKey of 2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is ULLDNEHSFRAWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO5/c12-11(13,14)7-15(4-8-2-1-3-20-8)9(16)5-19-6-10(17)18/h1-3H,4-7H2,(H,17,18).
What are the key properties of 2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 295.21 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61328447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).