CID 10917762

C16H20ClF6FeN2P+ — CID 10917762

IUPAC—
SMILESCN1CCN(c2ccc(Cl)cc2)CC1.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C11H15ClN2.C5H5.F6P.Fe/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11;1-2-4-5-3-1;1-7(2,3,4,5)6;/h2-5H,6-9H2,1H3;1-5H;;/q;;-1;+2
InChIKeyBRCLQBQQQQQUQF-UHFFFAOYSA-N
MW476.61 g/mol
LogP6.49
Rot. Bonds1

About CID 10917762

CID 10917762 (PubChem CID 10917762) has the molecular formula C16H20ClF6FeN2P+ and a molecular weight of 476.61 g/mol.

Molecular Properties

Compound NameCID 10917762
PubChem CID10917762
Molecular FormulaC16H20ClF6FeN2P+
Molecular Weight476.61 g/mol
Exact Mass476.03
IUPAC Name—
SMILESCN1CCN(c2ccc(Cl)cc2)CC1.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C11H15ClN2.C5H5.F6P.Fe/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11;1-2-4-5-3-1;1-7(2,3,4,5)6;/h2-5H,6-9H2,1H3;1-5H;;/q;;-1;+2
InChIKeyBRCLQBQQQQQUQF-UHFFFAOYSA-N
XLogP6.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.61
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(6-chloro-3-pyridinyl)-4-methylpiperazine
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Frequently Asked Questions

What is the IUPAC name of CID 10917762?
The IUPAC name of CID 10917762 (CID 10917762) is not available.
What is the SMILES notation for CID 10917762?
The canonical SMILES for CID 10917762 is CN1CCN(c2ccc(Cl)cc2)CC1.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 10917762?
The InChIKey is BRCLQBQQQQQUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2.C5H5.F6P.Fe/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11;1-2-4-5-3-1;1-7(2,3,4,5)6;/h2-5H,6-9H2,1H3;1-5H;;/q;;-1;+2.
What are the key properties of CID 10917762?
CID 10917762 has a molecular weight of 476.61 g/mol, XLogP of 6.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10917762 is sourced from PubChem (CID 10917762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).