CID 11733035

C18H15F6FeOP+ — CID 11733035

IUPAC—
SMILESF[P-](F)(F)(F)(F)F.O=C(c1ccccc1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C13H10O.C5H5.F6P.Fe/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-10H;1-5H;;/q;;-1;+2
InChIKeyUOJBKYCDEAXCDK-UHFFFAOYSA-N
MW448.12 g/mol
LogP7.32
Rot. Bonds2

About CID 11733035

CID 11733035 (PubChem CID 11733035) has the molecular formula C18H15F6FeOP+ and a molecular weight of 448.12 g/mol.

Molecular Properties

Compound NameCID 11733035
PubChem CID11733035
Molecular FormulaC18H15F6FeOP+
Molecular Weight448.12 g/mol
Exact Mass448.01
IUPAC Name—
SMILESF[P-](F)(F)(F)(F)F.O=C(c1ccccc1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C13H10O.C5H5.F6P.Fe/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-10H;1-5H;;/q;;-1;+2
InChIKeyUOJBKYCDEAXCDK-UHFFFAOYSA-N
XLogP7.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.12
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;hydron;fluoride
CID 21465824
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CID 175114327
diphenylmethanone;ethane
CID 158014879
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
(4-fluorophenyl)-phenylmethanone
CID 161464622
acetic acid;diphenylmethanone;hydrate
CID 161284686
2,2-dimethylpropane;diphenylmethanone
CID 159191976

Frequently Asked Questions

What is the IUPAC name of CID 11733035?
The IUPAC name of CID 11733035 (CID 11733035) is not available.
What is the SMILES notation for CID 11733035?
The canonical SMILES for CID 11733035 is F[P-](F)(F)(F)(F)F.O=C(c1ccccc1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 11733035?
The InChIKey is UOJBKYCDEAXCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C5H5.F6P.Fe/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-10H;1-5H;;/q;;-1;+2.
What are the key properties of CID 11733035?
CID 11733035 has a molecular weight of 448.12 g/mol, XLogP of 7.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11733035 is sourced from PubChem (CID 11733035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).