CID 176569404

C15H16FN2 — CID 176569404

IUPAC—
SMILESCC1C=C(C2=CN=C3[CH]C(F)=CC=C23)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
InChIKeyGYIMMTGYYMREII-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.83
Rot. Bonds1

About CID 176569404

CID 176569404 (PubChem CID 176569404) has the molecular formula C15H16FN2 and a molecular weight of 243.31 g/mol.

Molecular Properties

Compound NameCID 176569404
PubChem CID176569404
Molecular FormulaC15H16FN2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name—
SMILESCC1C=C(C2=CN=C3[CH]C(F)=CC=C23)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
InChIKeyGYIMMTGYYMREII-UHFFFAOYSA-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 176569404?
The IUPAC name of CID 176569404 (CID 176569404) is not available.
What is the SMILES notation for CID 176569404?
The canonical SMILES for CID 176569404 is CC1C=C(C2=CN=C3[CH]C(F)=CC=C23)CN(C)C1.
What is the InChIKey of CID 176569404?
The InChIKey is GYIMMTGYYMREII-UHFFFAOYSA-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.
What are the key properties of CID 176569404?
CID 176569404 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 176569404 is sourced from PubChem (CID 176569404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).