CID 176569573

C16H22FN2 — CID 176569573

IUPAC—
SMILESCCN1C[C@@H](C2=C3C=CC(F)=C[C]3N=C2)CC[C@H]1C.[H][H]
InChIInChI=1S/C16H20FN2.H2/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;1H/t11-,12+;/m1./s1
InChIKeyLVRJLWWERXMZPV-LYCTWNKOSA-N
MW261.36 g/mol
LogP3.69
Rot. Bonds2

About CID 176569573

CID 176569573 (PubChem CID 176569573) has the molecular formula C16H22FN2 and a molecular weight of 261.36 g/mol.

Molecular Properties

Compound NameCID 176569573
PubChem CID176569573
Molecular FormulaC16H22FN2
Molecular Weight261.36 g/mol
Exact Mass261.18
IUPAC Name—
SMILESCCN1C[C@@H](C2=C3C=CC(F)=C[C]3N=C2)CC[C@H]1C.[H][H]
InChIInChI=1S/C16H20FN2.H2/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;1H/t11-,12+;/m1./s1
InChIKeyLVRJLWWERXMZPV-LYCTWNKOSA-N
XLogP3.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 176569573?
The IUPAC name of CID 176569573 (CID 176569573) is not available.
What is the SMILES notation for CID 176569573?
The canonical SMILES for CID 176569573 is CCN1C[C@@H](C2=C3C=CC(F)=C[C]3N=C2)CC[C@H]1C.[H][H].
What is the InChIKey of CID 176569573?
The InChIKey is LVRJLWWERXMZPV-LYCTWNKOSA-N. The full InChI is InChI=1S/C16H20FN2.H2/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;1H/t11-,12+;/m1./s1.
What are the key properties of CID 176569573?
CID 176569573 has a molecular weight of 261.36 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176569573 is sourced from PubChem (CID 176569573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).