ethane;ethyl(methyl)phosphane;fluoromethylphosphane;propane

C30H85FP2 — CID 167664046

IUPACethane;ethyl(methyl)phosphane;fluoromethylphosphane;propane
SMILESCC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.CCC.CCPC.FCP
InChIInChI=1S/C3H9P.6C3H8.4C2H6.CH4FP/c1-3-4-2;6*1-3-2;4*1-2;2-1-3/h4H,3H2,1-2H3;6*3H2,1-2H3;4*1-2H3;1,3H2
InChIKeyCISSORZEHLKQJP-UHFFFAOYSA-N
MW526.96 g/mol
LogP14.71
Rot. Bonds1

About ethane;ethyl(methyl)phosphane;fluoromethylphosphane;propane

ethane;ethyl(methyl)phosphane;fluoromethylphosphane;propane (PubChem CID 167664046) has the molecular formula C30H85FP2 and a molecular weight of 526.96 g/mol. Its IUPAC name is ethane;ethyl(methyl)phosphane;fluoromethylphosphane;propane.

Molecular Properties

Compound Nameethane;ethyl(methyl)phosphane;fluoromethylphosphane;propane
PubChem CID167664046
Molecular FormulaC30H85FP2
Molecular Weight526.96 g/mol
Exact Mass526.61
IUPAC Nameethane;ethyl(methyl)phosphane;fluoromethylphosphane;propane
SMILESCC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.CCC.CCPC.FCP
InChIInChI=1S/C3H9P.6C3H8.4C2H6.CH4FP/c1-3-4-2;6*1-3-2;4*1-2;2-1-3/h4H,3H2,1-2H3;6*3H2,1-2H3;4*1-2H3;1,3H2
InChIKeyCISSORZEHLKQJP-UHFFFAOYSA-N
XLogP14.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.96
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl(methyl)phosphane;fluoromethylphosphane;propane?
The IUPAC name of ethane;ethyl(methyl)phosphane;fluoromethylphosphane;propane (CID 167664046) is ethane;ethyl(methyl)phosphane;fluoromethylphosphane;propane.
What is the SMILES notation for ethane;ethyl(methyl)phosphane;fluoromethylphosphane;propane?
The canonical SMILES for ethane;ethyl(methyl)phosphane;fluoromethylphosphane;propane is CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.CCC.CCPC.FCP.
What is the InChIKey of ethane;ethyl(methyl)phosphane;fluoromethylphosphane;propane?
The InChIKey is CISSORZEHLKQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9P.6C3H8.4C2H6.CH4FP/c1-3-4-2;6*1-3-2;4*1-2;2-1-3/h4H,3H2,1-2H3;6*3H2,1-2H3;4*1-2H3;1,3H2.
What are the key properties of ethane;ethyl(methyl)phosphane;fluoromethylphosphane;propane?
ethane;ethyl(methyl)phosphane;fluoromethylphosphane;propane has a molecular weight of 526.96 g/mol, XLogP of 14.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl(methyl)phosphane;fluoromethylphosphane;propane is sourced from PubChem (CID 167664046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).