[cyclohexyl(difluoro)methyl]-fluorophosphinic acid;propane

C10H20F3O2P — CID 91445218

IUPAC[cyclohexyl(difluoro)methyl]-fluorophosphinic acid;propane
SMILESCCC.O=P(O)(F)C(F)(F)C1CCCCC1
InChIInChI=1S/C7H12F3O2P.C3H8/c8-7(9,13(10,11)12)6-4-2-1-3-5-6;1-3-2/h6H,1-5H2,(H,11,12);3H2,1-2H3
InChIKeyGBEBLECVHYHXTJ-UHFFFAOYSA-N
MW260.24 g/mol
LogP4.73
Rot. Bonds2

About [cyclohexyl(difluoro)methyl]-fluorophosphinic acid;propane

[cyclohexyl(difluoro)methyl]-fluorophosphinic acid;propane (PubChem CID 91445218) has the molecular formula C10H20F3O2P and a molecular weight of 260.24 g/mol. Its IUPAC name is [cyclohexyl(difluoro)methyl]-fluorophosphinic acid;propane.

Molecular Properties

Compound Name[cyclohexyl(difluoro)methyl]-fluorophosphinic acid;propane
PubChem CID91445218
Molecular FormulaC10H20F3O2P
Molecular Weight260.24 g/mol
Exact Mass260.12
IUPAC Name[cyclohexyl(difluoro)methyl]-fluorophosphinic acid;propane
SMILESCCC.O=P(O)(F)C(F)(F)C1CCCCC1
InChIInChI=1S/C7H12F3O2P.C3H8/c8-7(9,13(10,11)12)6-4-2-1-3-5-6;1-3-2/h6H,1-5H2,(H,11,12);3H2,1-2H3
InChIKeyGBEBLECVHYHXTJ-UHFFFAOYSA-N
XLogP4.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [cyclohexyl(difluoro)methyl]-fluorophosphinic acid;propane?
The IUPAC name of [cyclohexyl(difluoro)methyl]-fluorophosphinic acid;propane (CID 91445218) is [cyclohexyl(difluoro)methyl]-fluorophosphinic acid;propane.
What is the SMILES notation for [cyclohexyl(difluoro)methyl]-fluorophosphinic acid;propane?
The canonical SMILES for [cyclohexyl(difluoro)methyl]-fluorophosphinic acid;propane is CCC.O=P(O)(F)C(F)(F)C1CCCCC1.
What is the InChIKey of [cyclohexyl(difluoro)methyl]-fluorophosphinic acid;propane?
The InChIKey is GBEBLECVHYHXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3O2P.C3H8/c8-7(9,13(10,11)12)6-4-2-1-3-5-6;1-3-2/h6H,1-5H2,(H,11,12);3H2,1-2H3.
What are the key properties of [cyclohexyl(difluoro)methyl]-fluorophosphinic acid;propane?
[cyclohexyl(difluoro)methyl]-fluorophosphinic acid;propane has a molecular weight of 260.24 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(difluoro)methyl]-fluorophosphinic acid;propane is sourced from PubChem (CID 91445218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).