2-[fluoro(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane

C11H22FO2P — CID 565494

IUPAC2-[fluoro(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(OP(C)(=O)F)C1
InChIInChI=1S/C11H22FO2P/c1-8(2)10-6-5-9(3)7-11(10)14-15(4,12)13/h8-11H,5-7H2,1-4H3
InChIKeyWFOWKNGMFASSEO-UHFFFAOYSA-N
MW236.27 g/mol
LogP4.26
Rot. Bonds3

About 2-[fluoro(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane

2-[fluoro(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 565494) has the molecular formula C11H22FO2P and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[fluoro(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2-[fluoro(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane
PubChem CID565494
Molecular FormulaC11H22FO2P
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-[fluoro(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(OP(C)(=O)F)C1
InChIInChI=1S/C11H22FO2P/c1-8(2)10-6-5-9(3)7-11(10)14-15(4,12)13/h8-11H,5-7H2,1-4H3
InChIKeyWFOWKNGMFASSEO-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of 2-[fluoro(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane (CID 565494) is 2-[fluoro(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 2-[fluoro(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 2-[fluoro(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane is CC1CCC(C(C)C)C(OP(C)(=O)F)C1.
What is the InChIKey of 2-[fluoro(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is WFOWKNGMFASSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FO2P/c1-8(2)10-6-5-9(3)7-11(10)14-15(4,12)13/h8-11H,5-7H2,1-4H3.
What are the key properties of 2-[fluoro(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane?
2-[fluoro(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 236.27 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(methyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 565494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).