CID 123892667

C16H16BrF2N — CID 123892667

IUPAC—
SMILESFC(F)C1CCC2(CC1)Cc1ccc(Br)cc1C21C=N1
InChIInChI=1S/C16H16BrF2N/c17-12-2-1-11-8-15(16(9-20-16)13(11)7-12)5-3-10(4-6-15)14(18)19/h1-2,7,9-10,14H,3-6,8H2
InChIKeyMAOHBIPQMUQVBZ-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.73
Rot. Bonds1

About CID 123892667

CID 123892667 (PubChem CID 123892667) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol.

Molecular Properties

Compound NameCID 123892667
PubChem CID123892667
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name—
SMILESFC(F)C1CCC2(CC1)Cc1ccc(Br)cc1C21C=N1
InChIInChI=1S/C16H16BrF2N/c17-12-2-1-11-8-15(16(9-20-16)13(11)7-12)5-3-10(4-6-15)14(18)19/h1-2,7,9-10,14H,3-6,8H2
InChIKeyMAOHBIPQMUQVBZ-UHFFFAOYSA-N
XLogP4.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 123892667?
The IUPAC name of CID 123892667 (CID 123892667) is not available.
What is the SMILES notation for CID 123892667?
The canonical SMILES for CID 123892667 is FC(F)C1CCC2(CC1)Cc1ccc(Br)cc1C21C=N1.
What is the InChIKey of CID 123892667?
The InChIKey is MAOHBIPQMUQVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c17-12-2-1-11-8-15(16(9-20-16)13(11)7-12)5-3-10(4-6-15)14(18)19/h1-2,7,9-10,14H,3-6,8H2.
What are the key properties of CID 123892667?
CID 123892667 has a molecular weight of 340.21 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123892667 is sourced from PubChem (CID 123892667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).