CID 173327404

C26H37FHfNSi-2 — CID 173327404

IUPAC—
SMILESCC1=[C-]C(C)C(C)=C1C.C[SiH]c1ccccc1.[Hf].[NH-]C12CC3CC(C1)CC(F)(C3)C2
InChIInChI=1S/C10H15FN.C9H13.C7H9Si.Hf/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9;1-6-5-7(2)9(4)8(6)3;1-8-7-5-3-2-4-6-7;/h7-8,12H,1-6H2;6H,1-4H3;2-6,8H,1H3;/q2*-1;;
InChIKeyWYEFLLCFXPPNQE-UHFFFAOYSA-N
MW589.16 g/mol
LogP6.62
Rot. Bonds1

About CID 173327404

CID 173327404 (PubChem CID 173327404) has the molecular formula C26H37FHfNSi-2 and a molecular weight of 589.16 g/mol.

Molecular Properties

Compound NameCID 173327404
PubChem CID173327404
Molecular FormulaC26H37FHfNSi-2
Molecular Weight589.16 g/mol
Exact Mass590.22
IUPAC Name—
SMILESCC1=[C-]C(C)C(C)=C1C.C[SiH]c1ccccc1.[Hf].[NH-]C12CC3CC(C1)CC(F)(C3)C2
InChIInChI=1S/C10H15FN.C9H13.C7H9Si.Hf/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9;1-6-5-7(2)9(4)8(6)3;1-8-7-5-3-2-4-6-7;/h7-8,12H,1-6H2;6H,1-4H3;2-6,8H,1H3;/q2*-1;;
InChIKeyWYEFLLCFXPPNQE-UHFFFAOYSA-N
XLogP6.62
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.16
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,3-Dimethylindenyl)(1-adamantylamino)dimethylsilane
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N-[chloro(diphenyl)silyl]adamantan-1-amine
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CID 88119232
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CID 88119400
CID 88119400
CID 88119963
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CID 88119966
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CID 88119968
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CID 88376726

Frequently Asked Questions

What is the IUPAC name of CID 173327404?
The IUPAC name of CID 173327404 (CID 173327404) is not available.
What is the SMILES notation for CID 173327404?
The canonical SMILES for CID 173327404 is CC1=[C-]C(C)C(C)=C1C.C[SiH]c1ccccc1.[Hf].[NH-]C12CC3CC(C1)CC(F)(C3)C2.
What is the InChIKey of CID 173327404?
The InChIKey is WYEFLLCFXPPNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN.C9H13.C7H9Si.Hf/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9;1-6-5-7(2)9(4)8(6)3;1-8-7-5-3-2-4-6-7;/h7-8,12H,1-6H2;6H,1-4H3;2-6,8H,1H3;/q2*-1;;.
What are the key properties of CID 173327404?
CID 173327404 has a molecular weight of 589.16 g/mol, XLogP of 6.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173327404 is sourced from PubChem (CID 173327404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).