dimethylphosphane;1-fluoro-4-(4-fluorocyclohexyl)oxycyclohexane

C14H27F2OP — CID 139328560

IUPACdimethylphosphane;1-fluoro-4-(4-fluorocyclohexyl)oxycyclohexane
SMILESCPC.FC1CCC(OC2CCC(F)CC2)CC1
InChIInChI=1S/C12H20F2O.C2H7P/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;1-3-2/h9-12H,1-8H2;3H,1-2H3
InChIKeyIOIQESYKWJELFF-UHFFFAOYSA-N
MW280.34 g/mol
LogP4.49
Rot. Bonds2

About dimethylphosphane;1-fluoro-4-(4-fluorocyclohexyl)oxycyclohexane

dimethylphosphane;1-fluoro-4-(4-fluorocyclohexyl)oxycyclohexane (PubChem CID 139328560) has the molecular formula C14H27F2OP and a molecular weight of 280.34 g/mol. Its IUPAC name is dimethylphosphane;1-fluoro-4-(4-fluorocyclohexyl)oxycyclohexane.

Molecular Properties

Compound Namedimethylphosphane;1-fluoro-4-(4-fluorocyclohexyl)oxycyclohexane
PubChem CID139328560
Molecular FormulaC14H27F2OP
Molecular Weight280.34 g/mol
Exact Mass280.18
IUPAC Namedimethylphosphane;1-fluoro-4-(4-fluorocyclohexyl)oxycyclohexane
SMILESCPC.FC1CCC(OC2CCC(F)CC2)CC1
InChIInChI=1S/C12H20F2O.C2H7P/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;1-3-2/h9-12H,1-8H2;3H,1-2H3
InChIKeyIOIQESYKWJELFF-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dimethylphosphane;1-fluoro-4-(4-fluorocyclohexyl)oxycyclohexane 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 dimethylphosphane;1-fluoro-4-(4-fluorocyclohexyl)oxycyclohexane?
The IUPAC name of dimethylphosphane;1-fluoro-4-(4-fluorocyclohexyl)oxycyclohexane (CID 139328560) is dimethylphosphane;1-fluoro-4-(4-fluorocyclohexyl)oxycyclohexane.
What is the SMILES notation for dimethylphosphane;1-fluoro-4-(4-fluorocyclohexyl)oxycyclohexane?
The canonical SMILES for dimethylphosphane;1-fluoro-4-(4-fluorocyclohexyl)oxycyclohexane is CPC.FC1CCC(OC2CCC(F)CC2)CC1.
What is the InChIKey of dimethylphosphane;1-fluoro-4-(4-fluorocyclohexyl)oxycyclohexane?
The InChIKey is IOIQESYKWJELFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2O.C2H7P/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;1-3-2/h9-12H,1-8H2;3H,1-2H3.
What are the key properties of dimethylphosphane;1-fluoro-4-(4-fluorocyclohexyl)oxycyclohexane?
dimethylphosphane;1-fluoro-4-(4-fluorocyclohexyl)oxycyclohexane has a molecular weight of 280.34 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylphosphane;1-fluoro-4-(4-fluorocyclohexyl)oxycyclohexane is sourced from PubChem (CID 139328560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).