methyl (2R)-2-acetamido-3,3,3-trifluoro-2-(furan-2-yl)propanoate

C10H10F3NO4 — CID 7035083

IUPACmethyl (2R)-2-acetamido-3,3,3-trifluoro-2-(furan-2-yl)propanoate
SMILESCOC(=O)[C@](NC(C)=O)(c1ccco1)C(F)(F)F
InChIInChI=1S/C10H10F3NO4/c1-6(15)14-9(8(16)17-2,10(11,12)13)7-4-3-5-18-7/h3-5H,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyHMHQDYLEHNNTKH-SECBINFHSA-N
MW265.19 g/mol
LogP1.35
Rot. Bonds3

About methyl (2R)-2-acetamido-3,3,3-trifluoro-2-(furan-2-yl)propanoate

methyl (2R)-2-acetamido-3,3,3-trifluoro-2-(furan-2-yl)propanoate (PubChem CID 7035083) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is methyl (2R)-2-acetamido-3,3,3-trifluoro-2-(furan-2-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-acetamido-3,3,3-trifluoro-2-(furan-2-yl)propanoate
PubChem CID7035083
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Namemethyl (2R)-2-acetamido-3,3,3-trifluoro-2-(furan-2-yl)propanoate
SMILESCOC(=O)[C@](NC(C)=O)(c1ccco1)C(F)(F)F
InChIInChI=1S/C10H10F3NO4/c1-6(15)14-9(8(16)17-2,10(11,12)13)7-4-3-5-18-7/h3-5H,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyHMHQDYLEHNNTKH-SECBINFHSA-N
XLogP1.35
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-acetamido-3,3,3-trifluoro-2-(furan-2-yl)propanoate?
The IUPAC name of methyl (2R)-2-acetamido-3,3,3-trifluoro-2-(furan-2-yl)propanoate (CID 7035083) is methyl (2R)-2-acetamido-3,3,3-trifluoro-2-(furan-2-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-acetamido-3,3,3-trifluoro-2-(furan-2-yl)propanoate?
The canonical SMILES for methyl (2R)-2-acetamido-3,3,3-trifluoro-2-(furan-2-yl)propanoate is COC(=O)[C@](NC(C)=O)(c1ccco1)C(F)(F)F.
What is the InChIKey of methyl (2R)-2-acetamido-3,3,3-trifluoro-2-(furan-2-yl)propanoate?
The InChIKey is HMHQDYLEHNNTKH-SECBINFHSA-N. The full InChI is InChI=1S/C10H10F3NO4/c1-6(15)14-9(8(16)17-2,10(11,12)13)7-4-3-5-18-7/h3-5H,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of methyl (2R)-2-acetamido-3,3,3-trifluoro-2-(furan-2-yl)propanoate?
methyl (2R)-2-acetamido-3,3,3-trifluoro-2-(furan-2-yl)propanoate has a molecular weight of 265.19 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-acetamido-3,3,3-trifluoro-2-(furan-2-yl)propanoate is sourced from PubChem (CID 7035083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).