CID 139187890

C11H13F4N2P — CID 139187890

IUPAC—
SMILESCn1cc[n+](C)c1[P-](F)(F)(F)(F)c1ccccc1
InChIInChI=1S/C11H13F4N2P/c1-16-8-9-17(2)11(16)18(12,13,14,15)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyUKKDGBUVHUUNKF-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.43
Rot. Bonds2

About CID 139187890

CID 139187890 (PubChem CID 139187890) has the molecular formula C11H13F4N2P and a molecular weight of 280.21 g/mol.

Molecular Properties

Compound NameCID 139187890
PubChem CID139187890
Molecular FormulaC11H13F4N2P
Molecular Weight280.21 g/mol
Exact Mass280.08
IUPAC Name—
SMILESCn1cc[n+](C)c1[P-](F)(F)(F)(F)c1ccccc1
InChIInChI=1S/C11H13F4N2P/c1-16-8-9-17(2)11(16)18(12,13,14,15)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyUKKDGBUVHUUNKF-UHFFFAOYSA-N
XLogP2.43
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-Benzyl-3-methylimidazolium hexafluorophosphate
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(1-Ethyl-3-methylimidazol-3-ium-2-yl)-diphenylphosphane tetrafluoroborate
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(1,3-Dimethylimidazol-1-ium-2-yl)-diphenyl-sulfanylidene-lambda5-phosphane chloride
CID 16196144
1-(2-Phenylethynyl)imidazole
CID 22271713
1H-Imidazole, 1-(2-phenylethenyl)-, (E)-
CID 5374234
Phosphinothioic amide, N,N-dimethyl-P-imidazol-1-yl-P-phenyl-
CID 20836057
2-(diphenylphosphino)-1-methyl-1H-imidazole
CID 3610633
Bis(1-ethenylimidazol-2-yl)-phenyl-sulfanylidene-lambda5-phosphane
CID 4247711
1-(3-Phenyl-2-propenyl)-1H-imidazole
CID 6443808
Phosphinic amide, N,N-diethyl-P-imidazol-1-yl-P-phenyl-
CID 20836059
(1-Methylimidazol-2-yl)-phenylphosphinic acid
CID 4206734
Diphenyl-(1,1,2,2-tetrafluoro-2-imidazol-1-ylethyl)phosphane
CID 130318739

Frequently Asked Questions

What is the IUPAC name of CID 139187890?
The IUPAC name of CID 139187890 (CID 139187890) is not available.
What is the SMILES notation for CID 139187890?
The canonical SMILES for CID 139187890 is Cn1cc[n+](C)c1[P-](F)(F)(F)(F)c1ccccc1.
What is the InChIKey of CID 139187890?
The InChIKey is UKKDGBUVHUUNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N2P/c1-16-8-9-17(2)11(16)18(12,13,14,15)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of CID 139187890?
CID 139187890 has a molecular weight of 280.21 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139187890 is sourced from PubChem (CID 139187890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).