CID 166449293

C7H7F3NO — CID 166449293

IUPAC—
SMILESCC(=O)C1=C[CH][C@H](C(F)(F)F)N1
InChIInChI=1S/C7H7F3NO/c1-4(12)5-2-3-6(11-5)7(8,9)10/h2-3,6,11H,1H3/t6-/m1/s1
InChIKeyUFLWFULLHAFVFO-ZCFIWIBFSA-N
MW178.13 g/mol
LogP1.20
Rot. Bonds1

About CID 166449293

CID 166449293 (PubChem CID 166449293) has the molecular formula C7H7F3NO and a molecular weight of 178.13 g/mol.

Molecular Properties

Compound NameCID 166449293
PubChem CID166449293
Molecular FormulaC7H7F3NO
Molecular Weight178.13 g/mol
Exact Mass178.05
IUPAC Name—
SMILESCC(=O)C1=C[CH][C@H](C(F)(F)F)N1
InChIInChI=1S/C7H7F3NO/c1-4(12)5-2-3-6(11-5)7(8,9)10/h2-3,6,11H,1H3/t6-/m1/s1
InChIKeyUFLWFULLHAFVFO-ZCFIWIBFSA-N
XLogP1.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.13
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 166449293?
The IUPAC name of CID 166449293 (CID 166449293) is not available.
What is the SMILES notation for CID 166449293?
The canonical SMILES for CID 166449293 is CC(=O)C1=C[CH][C@H](C(F)(F)F)N1.
What is the InChIKey of CID 166449293?
The InChIKey is UFLWFULLHAFVFO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H7F3NO/c1-4(12)5-2-3-6(11-5)7(8,9)10/h2-3,6,11H,1H3/t6-/m1/s1.
What are the key properties of CID 166449293?
CID 166449293 has a molecular weight of 178.13 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166449293 is sourced from PubChem (CID 166449293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).