CID 176569100

C15H18FN2 — CID 176569100

IUPAC—
SMILESC[C@H]1C=C(C2=CN=C3C=C(F)C=C[C]23)CN(C)C1.[H][H]
InChIInChI=1S/C15H16FN2.H2/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;1H/t10-;/m0./s1
InChIKeyVCATZAQGORDKNP-PPHPATTJSA-N
MW245.32 g/mol
LogP3.08
Rot. Bonds1

About CID 176569100

CID 176569100 (PubChem CID 176569100) has the molecular formula C15H18FN2 and a molecular weight of 245.32 g/mol.

Molecular Properties

Compound NameCID 176569100
PubChem CID176569100
Molecular FormulaC15H18FN2
Molecular Weight245.32 g/mol
Exact Mass245.15
IUPAC Name—
SMILESC[C@H]1C=C(C2=CN=C3C=C(F)C=C[C]23)CN(C)C1.[H][H]
InChIInChI=1S/C15H16FN2.H2/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;1H/t10-;/m0./s1
InChIKeyVCATZAQGORDKNP-PPHPATTJSA-N
XLogP3.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 176569100?
The IUPAC name of CID 176569100 (CID 176569100) is not available.
What is the SMILES notation for CID 176569100?
The canonical SMILES for CID 176569100 is C[C@H]1C=C(C2=CN=C3C=C(F)C=C[C]23)CN(C)C1.[H][H].
What is the InChIKey of CID 176569100?
The InChIKey is VCATZAQGORDKNP-PPHPATTJSA-N. The full InChI is InChI=1S/C15H16FN2.H2/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;1H/t10-;/m0./s1.
What are the key properties of CID 176569100?
CID 176569100 has a molecular weight of 245.32 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176569100 is sourced from PubChem (CID 176569100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).