CID 171415141

C11H6F3O2 — CID 171415141

IUPAC—
SMILESO=C1[C](C(F)(F)F)C=C(O)c2ccccc21
InChIInChI=1S/C11H6F3O2/c12-11(13,14)8-5-9(15)6-3-1-2-4-7(6)10(8)16/h1-5,15H
InChIKeyWGKMJBZZYCDJEU-UHFFFAOYSA-N
MW227.16 g/mol
LogP2.92
Rot. Bonds

About CID 171415141

CID 171415141 (PubChem CID 171415141) has the molecular formula C11H6F3O2 and a molecular weight of 227.16 g/mol.

Molecular Properties

Compound NameCID 171415141
PubChem CID171415141
Molecular FormulaC11H6F3O2
Molecular Weight227.16 g/mol
Exact Mass227.03
IUPAC Name—
SMILESO=C1[C](C(F)(F)F)C=C(O)c2ccccc21
InChIInChI=1S/C11H6F3O2/c12-11(13,14)8-5-9(15)6-3-1-2-4-7(6)10(8)16/h1-5,15H
InChIKeyWGKMJBZZYCDJEU-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 171415141?
The IUPAC name of CID 171415141 (CID 171415141) is not available.
What is the SMILES notation for CID 171415141?
The canonical SMILES for CID 171415141 is O=C1[C](C(F)(F)F)C=C(O)c2ccccc21.
What is the InChIKey of CID 171415141?
The InChIKey is WGKMJBZZYCDJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3O2/c12-11(13,14)8-5-9(15)6-3-1-2-4-7(6)10(8)16/h1-5,15H.
What are the key properties of CID 171415141?
CID 171415141 has a molecular weight of 227.16 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171415141 is sourced from PubChem (CID 171415141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).