CID 102027475

C8H11F3NO3 — CID 102027475

IUPAC—
SMILES[CH2][C@H](CCC(=O)OC)NC(=O)C(F)(F)F
InChIInChI=1S/C8H11F3NO3/c1-5(3-4-6(13)15-2)12-7(14)8(9,10)11/h5H,1,3-4H2,2H3,(H,12,14)/t5-/m1/s1
InChIKeyWPRFNGTVRAXUKD-RXMQYKEDSA-N
MW226.17 g/mol
LogP0.82
Rot. Bonds4

About CID 102027475

CID 102027475 (PubChem CID 102027475) has the molecular formula C8H11F3NO3 and a molecular weight of 226.17 g/mol.

Molecular Properties

Compound NameCID 102027475
PubChem CID102027475
Molecular FormulaC8H11F3NO3
Molecular Weight226.17 g/mol
Exact Mass226.07
IUPAC Name—
SMILES[CH2][C@H](CCC(=O)OC)NC(=O)C(F)(F)F
InChIInChI=1S/C8H11F3NO3/c1-5(3-4-6(13)15-2)12-7(14)8(9,10)11/h5H,1,3-4H2,2H3,(H,12,14)/t5-/m1/s1
InChIKeyWPRFNGTVRAXUKD-RXMQYKEDSA-N
XLogP0.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.17
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 102027475?
The IUPAC name of CID 102027475 (CID 102027475) is not available.
What is the SMILES notation for CID 102027475?
The canonical SMILES for CID 102027475 is [CH2][C@H](CCC(=O)OC)NC(=O)C(F)(F)F.
What is the InChIKey of CID 102027475?
The InChIKey is WPRFNGTVRAXUKD-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H11F3NO3/c1-5(3-4-6(13)15-2)12-7(14)8(9,10)11/h5H,1,3-4H2,2H3,(H,12,14)/t5-/m1/s1.
What are the key properties of CID 102027475?
CID 102027475 has a molecular weight of 226.17 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102027475 is sourced from PubChem (CID 102027475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).