bis(4-fluorocyclohexyl)methylphosphonic acid

C13H23F2O3P — CID 66796629

IUPACbis(4-fluorocyclohexyl)methylphosphonic acid
SMILESO=P(O)(O)C(C1CCC(F)CC1)C1CCC(F)CC1
InChIInChI=1S/C13H23F2O3P/c14-11-5-1-9(2-6-11)13(19(16,17)18)10-3-7-12(15)8-4-10/h9-13H,1-8H2,(H2,16,17,18)
InChIKeyGPHUFHNLKHCGQZ-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.59
Rot. Bonds3

About bis(4-fluorocyclohexyl)methylphosphonic acid

bis(4-fluorocyclohexyl)methylphosphonic acid (PubChem CID 66796629) has the molecular formula C13H23F2O3P and a molecular weight of 296.29 g/mol. Its IUPAC name is bis(4-fluorocyclohexyl)methylphosphonic acid.

Molecular Properties

Compound Namebis(4-fluorocyclohexyl)methylphosphonic acid
PubChem CID66796629
Molecular FormulaC13H23F2O3P
Molecular Weight296.29 g/mol
Exact Mass296.14
IUPAC Namebis(4-fluorocyclohexyl)methylphosphonic acid
SMILESO=P(O)(O)C(C1CCC(F)CC1)C1CCC(F)CC1
InChIInChI=1S/C13H23F2O3P/c14-11-5-1-9(2-6-11)13(19(16,17)18)10-3-7-12(15)8-4-10/h9-13H,1-8H2,(H2,16,17,18)
InChIKeyGPHUFHNLKHCGQZ-UHFFFAOYSA-N
XLogP3.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bis(4-fluorocyclohexyl)methylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(4-fluorocyclohexyl)methylphosphonic acid?
The IUPAC name of bis(4-fluorocyclohexyl)methylphosphonic acid (CID 66796629) is bis(4-fluorocyclohexyl)methylphosphonic acid.
What is the SMILES notation for bis(4-fluorocyclohexyl)methylphosphonic acid?
The canonical SMILES for bis(4-fluorocyclohexyl)methylphosphonic acid is O=P(O)(O)C(C1CCC(F)CC1)C1CCC(F)CC1.
What is the InChIKey of bis(4-fluorocyclohexyl)methylphosphonic acid?
The InChIKey is GPHUFHNLKHCGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2O3P/c14-11-5-1-9(2-6-11)13(19(16,17)18)10-3-7-12(15)8-4-10/h9-13H,1-8H2,(H2,16,17,18).
What are the key properties of bis(4-fluorocyclohexyl)methylphosphonic acid?
bis(4-fluorocyclohexyl)methylphosphonic acid has a molecular weight of 296.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorocyclohexyl)methylphosphonic acid is sourced from PubChem (CID 66796629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).