CID 176569101

C15H16FN2 — CID 176569101

IUPAC—
SMILESC[C@H]1C=C(C2=CN=C3C=C(F)C=C[C]23)CN(C)C1
InChIInChI=1S/C15H16FN2/c1-10-5-11(9-18(2)8-10)14-7-17-15-6-12(16)3-4-13(14)15/h3-7,10H,8-9H2,1-2H3/t10-/m0/s1
InChIKeyGYIMMTGYYMREII-JTQLQIEISA-N
MW243.31 g/mol
LogP2.83
Rot. Bonds1

About CID 176569101

CID 176569101 (PubChem CID 176569101) has the molecular formula C15H16FN2 and a molecular weight of 243.31 g/mol.

Molecular Properties

Compound NameCID 176569101
PubChem CID176569101
Molecular FormulaC15H16FN2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name—
SMILESC[C@H]1C=C(C2=CN=C3C=C(F)C=C[C]23)CN(C)C1
InChIInChI=1S/C15H16FN2/c1-10-5-11(9-18(2)8-10)14-7-17-15-6-12(16)3-4-13(14)15/h3-7,10H,8-9H2,1-2H3/t10-/m0/s1
InChIKeyGYIMMTGYYMREII-JTQLQIEISA-N
XLogP2.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 176569101?
The IUPAC name of CID 176569101 (CID 176569101) is not available.
What is the SMILES notation for CID 176569101?
The canonical SMILES for CID 176569101 is C[C@H]1C=C(C2=CN=C3C=C(F)C=C[C]23)CN(C)C1.
What is the InChIKey of CID 176569101?
The InChIKey is GYIMMTGYYMREII-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16FN2/c1-10-5-11(9-18(2)8-10)14-7-17-15-6-12(16)3-4-13(14)15/h3-7,10H,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of CID 176569101?
CID 176569101 has a molecular weight of 243.31 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176569101 is sourced from PubChem (CID 176569101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).