CID 164680682

C12H19BFN — CID 164680682

IUPAC—
SMILES[B][C@H]1C2CC3CC(CC1(N(C)C)C3)[C@H]2F
InChIInChI=1S/C12H19BFN/c1-15(2)12-5-7-3-8(6-12)10(14)9(4-7)11(12)13/h7-11H,3-6H2,1-2H3/t7?,8?,9?,10-,11+,12?/m1/s1
InChIKeyHSHYPGQGBOHIJL-SRKBPDQRSA-N
MW207.10 g/mol
LogP2.03
Rot. Bonds1

About CID 164680682

CID 164680682 (PubChem CID 164680682) has the molecular formula C12H19BFN and a molecular weight of 207.10 g/mol.

Molecular Properties

Compound NameCID 164680682
PubChem CID164680682
Molecular FormulaC12H19BFN
Molecular Weight207.10 g/mol
Exact Mass207.16
IUPAC Name—
SMILES[B][C@H]1C2CC3CC(CC1(N(C)C)C3)[C@H]2F
InChIInChI=1S/C12H19BFN/c1-15(2)12-5-7-3-8(6-12)10(14)9(4-7)11(12)13/h7-11H,3-6H2,1-2H3/t7?,8?,9?,10-,11+,12?/m1/s1
InChIKeyHSHYPGQGBOHIJL-SRKBPDQRSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 164680682?
The IUPAC name of CID 164680682 (CID 164680682) is not available.
What is the SMILES notation for CID 164680682?
The canonical SMILES for CID 164680682 is [B][C@H]1C2CC3CC(CC1(N(C)C)C3)[C@H]2F.
What is the InChIKey of CID 164680682?
The InChIKey is HSHYPGQGBOHIJL-SRKBPDQRSA-N. The full InChI is InChI=1S/C12H19BFN/c1-15(2)12-5-7-3-8(6-12)10(14)9(4-7)11(12)13/h7-11H,3-6H2,1-2H3/t7?,8?,9?,10-,11+,12?/m1/s1.
What are the key properties of CID 164680682?
CID 164680682 has a molecular weight of 207.10 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164680682 is sourced from PubChem (CID 164680682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).