CID 167645193

C17H51BFK — CID 167645193

IUPAC—
SMILESCC.CC.CC.CC.CC.CC.CC.CCC.[2H][B].[F-].[K+]
InChIInChI=1S/C3H8.7C2H6.BH.FH.K/c1-3-2;7*1-2;;;/h3H2,1-2H3;7*1-2H3;2*1H;/q;;;;;;;;;;+1/p-1/i;;;;;;;;1D;;
InChIKeyFYMRQRMSYQNFFU-CDXTWVRVSA-M
MW325.51 g/mol
LogP1.96
Rot. Bonds

About CID 167645193

CID 167645193 (PubChem CID 167645193) has the molecular formula C17H51BFK and a molecular weight of 325.51 g/mol.

Molecular Properties

Compound NameCID 167645193
PubChem CID167645193
Molecular FormulaC17H51BFK
Molecular Weight325.51 g/mol
Exact Mass325.38
IUPAC Name—
SMILESCC.CC.CC.CC.CC.CC.CC.CCC.[2H][B].[F-].[K+]
InChIInChI=1S/C3H8.7C2H6.BH.FH.K/c1-3-2;7*1-2;;;/h3H2,1-2H3;7*1-2H3;2*1H;/q;;;;;;;;;;+1/p-1/i;;;;;;;;1D;;
InChIKeyFYMRQRMSYQNFFU-CDXTWVRVSA-M
XLogP1.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.51
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;methane;propane
CID 158640727
ethane;propane;hydrofluoride
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ethane;methane;propane
CID 165064359
ethane;methane;propane
CID 162208198
ethane;methane;propane
CID 159652033
ethane;methane;propane
CID 141487287
potassium;carbanide;ethane;hydride;propane;yttrium
CID 169424625
ethane;ethene;propane
CID 143348401
ethane;methanol;propane
CID 91023482
ethane;molecular hydrogen;propane
CID 145405641
ethane;methanamine;propane
CID 91195053
propane trihydroxide
CID 18172989

Frequently Asked Questions

What is the IUPAC name of CID 167645193?
The IUPAC name of CID 167645193 (CID 167645193) is not available.
What is the SMILES notation for CID 167645193?
The canonical SMILES for CID 167645193 is CC.CC.CC.CC.CC.CC.CC.CCC.[2H][B].[F-].[K+].
What is the InChIKey of CID 167645193?
The InChIKey is FYMRQRMSYQNFFU-CDXTWVRVSA-M. The full InChI is InChI=1S/C3H8.7C2H6.BH.FH.K/c1-3-2;7*1-2;;;/h3H2,1-2H3;7*1-2H3;2*1H;/q;;;;;;;;;;+1/p-1/i;;;;;;;;1D;;.
What are the key properties of CID 167645193?
CID 167645193 has a molecular weight of 325.51 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167645193 is sourced from PubChem (CID 167645193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).