CID 176569574

C16H20FN2 — CID 176569574

IUPAC—
SMILESCCN1C[C@@H](C2=C3C=CC(F)=C[C]3N=C2)CC[C@H]1C
InChIInChI=1S/C16H20FN2/c1-3-19-10-12(5-4-11(19)2)15-9-18-16-8-13(17)6-7-14(15)16/h6-9,11-12H,3-5,10H2,1-2H3/t11-,12+/m1/s1
InChIKeyBCDWUPLHIGCELI-NEPJUHHUSA-N
MW259.35 g/mol
LogP3.44
Rot. Bonds2

About CID 176569574

CID 176569574 (PubChem CID 176569574) has the molecular formula C16H20FN2 and a molecular weight of 259.35 g/mol.

Molecular Properties

Compound NameCID 176569574
PubChem CID176569574
Molecular FormulaC16H20FN2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name—
SMILESCCN1C[C@@H](C2=C3C=CC(F)=C[C]3N=C2)CC[C@H]1C
InChIInChI=1S/C16H20FN2/c1-3-19-10-12(5-4-11(19)2)15-9-18-16-8-13(17)6-7-14(15)16/h6-9,11-12H,3-5,10H2,1-2H3/t11-,12+/m1/s1
InChIKeyBCDWUPLHIGCELI-NEPJUHHUSA-N
XLogP3.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 176569574?
The IUPAC name of CID 176569574 (CID 176569574) is not available.
What is the SMILES notation for CID 176569574?
The canonical SMILES for CID 176569574 is CCN1C[C@@H](C2=C3C=CC(F)=C[C]3N=C2)CC[C@H]1C.
What is the InChIKey of CID 176569574?
The InChIKey is BCDWUPLHIGCELI-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H20FN2/c1-3-19-10-12(5-4-11(19)2)15-9-18-16-8-13(17)6-7-14(15)16/h6-9,11-12H,3-5,10H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of CID 176569574?
CID 176569574 has a molecular weight of 259.35 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176569574 is sourced from PubChem (CID 176569574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).