[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-difluoromethyl]phosphane;methanamine

C10H18F2N3OP — CID 143342543

IUPAC[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-difluoromethyl]phosphane;methanamine
SMILESCN.FC(F)(P)c1nnc(C2CCCCC2)o1
InChIInChI=1S/C9H13F2N2OP.CH5N/c10-9(11,15)8-13-12-7(14-8)6-4-2-1-3-5-6;1-2/h6H,1-5,15H2;2H2,1H3
InChIKeyBMHDOLHTBFRUCC-UHFFFAOYSA-N
MW265.24 g/mol
LogP2.62
Rot. Bonds2

About [(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-difluoromethyl]phosphane;methanamine

[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-difluoromethyl]phosphane;methanamine (PubChem CID 143342543) has the molecular formula C10H18F2N3OP and a molecular weight of 265.24 g/mol. Its IUPAC name is [(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-difluoromethyl]phosphane;methanamine.

Molecular Properties

Compound Name[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-difluoromethyl]phosphane;methanamine
PubChem CID143342543
Molecular FormulaC10H18F2N3OP
Molecular Weight265.24 g/mol
Exact Mass265.12
IUPAC Name[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-difluoromethyl]phosphane;methanamine
SMILESCN.FC(F)(P)c1nnc(C2CCCCC2)o1
InChIInChI=1S/C9H13F2N2OP.CH5N/c10-9(11,15)8-13-12-7(14-8)6-4-2-1-3-5-6;1-2/h6H,1-5,15H2;2H2,1H3
InChIKeyBMHDOLHTBFRUCC-UHFFFAOYSA-N
XLogP2.62
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-difluoromethyl]phosphane;methanamine?
The IUPAC name of [(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-difluoromethyl]phosphane;methanamine (CID 143342543) is [(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-difluoromethyl]phosphane;methanamine.
What is the SMILES notation for [(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-difluoromethyl]phosphane;methanamine?
The canonical SMILES for [(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-difluoromethyl]phosphane;methanamine is CN.FC(F)(P)c1nnc(C2CCCCC2)o1.
What is the InChIKey of [(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-difluoromethyl]phosphane;methanamine?
The InChIKey is BMHDOLHTBFRUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N2OP.CH5N/c10-9(11,15)8-13-12-7(14-8)6-4-2-1-3-5-6;1-2/h6H,1-5,15H2;2H2,1H3.
What are the key properties of [(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-difluoromethyl]phosphane;methanamine?
[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-difluoromethyl]phosphane;methanamine has a molecular weight of 265.24 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-difluoromethyl]phosphane;methanamine is sourced from PubChem (CID 143342543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).