CID 10875795

C19H23ClF6NO4PRu+ — CID 10875795

IUPAC—
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)O.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Ru+2]
InChIInChI=1S/C14H18ClNO4.C5H5.F6P.Ru/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9;1-2-4-5-3-1;1-7(2,3,4,5)6;/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18);1-5H;;/q;;-1;+2/t11-;;;/m1.../s1
InChIKeyTWVWVTFWVODYLK-HCEFKKQBSA-N
MW610.88 g/mol
LogP7.26
Rot. Bonds4

About CID 10875795

CID 10875795 (PubChem CID 10875795) has the molecular formula C19H23ClF6NO4PRu+ and a molecular weight of 610.88 g/mol.

Molecular Properties

Compound NameCID 10875795
PubChem CID10875795
Molecular FormulaC19H23ClF6NO4PRu+
Molecular Weight610.88 g/mol
Exact Mass611.00
IUPAC Name—
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)O.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Ru+2]
InChIInChI=1S/C14H18ClNO4.C5H5.F6P.Ru/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9;1-2-4-5-3-1;1-7(2,3,4,5)6;/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18);1-5H;;/q;;-1;+2/t11-;;;/m1.../s1
InChIKeyTWVWVTFWVODYLK-HCEFKKQBSA-N
XLogP7.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.88
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 172569374
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CID 176967438
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CID 11114823
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CID 4623908
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CID 154814740
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 7017901
lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 10875795?
The IUPAC name of CID 10875795 (CID 10875795) is not available.
What is the SMILES notation for CID 10875795?
The canonical SMILES for CID 10875795 is CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)O.F[P-](F)(F)(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Ru+2].
What is the InChIKey of CID 10875795?
The InChIKey is TWVWVTFWVODYLK-HCEFKKQBSA-N. The full InChI is InChI=1S/C14H18ClNO4.C5H5.F6P.Ru/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9;1-2-4-5-3-1;1-7(2,3,4,5)6;/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18);1-5H;;/q;;-1;+2/t11-;;;/m1.../s1.
What are the key properties of CID 10875795?
CID 10875795 has a molecular weight of 610.88 g/mol, XLogP of 7.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10875795 is sourced from PubChem (CID 10875795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).