CID 170786155

C16H11F3N — CID 170786155

IUPAC—
SMILESCc1ccc(-c2ccc(C3=C(C(F)(F)F)[CH]3)cn2)cc1
InChIInChI=1S/C16H11F3N/c1-10-2-4-11(5-3-10)15-7-6-12(9-20-15)13-8-14(13)16(17,18)19/h2-9H,1H3
InChIKeyRAWLLFOCVLUXSC-UHFFFAOYSA-N
MW274.27 g/mol
LogP4.59
Rot. Bonds2

About CID 170786155

CID 170786155 (PubChem CID 170786155) has the molecular formula C16H11F3N and a molecular weight of 274.27 g/mol.

Molecular Properties

Compound NameCID 170786155
PubChem CID170786155
Molecular FormulaC16H11F3N
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name—
SMILESCc1ccc(-c2ccc(C3=C(C(F)(F)F)[CH]3)cn2)cc1
InChIInChI=1S/C16H11F3N/c1-10-2-4-11(5-3-10)15-7-6-12(9-20-15)13-8-14(13)16(17,18)19/h2-9H,1H3
InChIKeyRAWLLFOCVLUXSC-UHFFFAOYSA-N
XLogP4.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 170786155?
The IUPAC name of CID 170786155 (CID 170786155) is not available.
What is the SMILES notation for CID 170786155?
The canonical SMILES for CID 170786155 is Cc1ccc(-c2ccc(C3=C(C(F)(F)F)[CH]3)cn2)cc1.
What is the InChIKey of CID 170786155?
The InChIKey is RAWLLFOCVLUXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N/c1-10-2-4-11(5-3-10)15-7-6-12(9-20-15)13-8-14(13)16(17,18)19/h2-9H,1H3.
What are the key properties of CID 170786155?
CID 170786155 has a molecular weight of 274.27 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170786155 is sourced from PubChem (CID 170786155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).