fluoro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid

C10H20FO3P — CID 12061186

IUPACfluoro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(=O)(O)F
InChIInChI=1S/C10H20FO3P/c1-7(2)9-5-4-8(3)6-10(9)14-15(11,12)13/h7-10H,4-6H2,1-3H3,(H,12,13)/t8-,9+,10-/m1/s1
InChIKeyHUFQSJVSFQYFNU-KXUCPTDWSA-N
MW238.24 g/mol
LogP3.53
Rot. Bonds3

About fluoro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid

fluoro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid (PubChem CID 12061186) has the molecular formula C10H20FO3P and a molecular weight of 238.24 g/mol. Its IUPAC name is fluoro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid.

Molecular Properties

Compound Namefluoro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid
PubChem CID12061186
Molecular FormulaC10H20FO3P
Molecular Weight238.24 g/mol
Exact Mass238.11
IUPAC Namefluoro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(=O)(O)F
InChIInChI=1S/C10H20FO3P/c1-7(2)9-5-4-8(3)6-10(9)14-15(11,12)13/h7-10H,4-6H2,1-3H3,(H,12,13)/t8-,9+,10-/m1/s1
InChIKeyHUFQSJVSFQYFNU-KXUCPTDWSA-N
XLogP3.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
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 fluoro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid?
The IUPAC name of fluoro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid (CID 12061186) is fluoro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid.
What is the SMILES notation for fluoro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid?
The canonical SMILES for fluoro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(=O)(O)F.
What is the InChIKey of fluoro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid?
The InChIKey is HUFQSJVSFQYFNU-KXUCPTDWSA-N. The full InChI is InChI=1S/C10H20FO3P/c1-7(2)9-5-4-8(3)6-10(9)14-15(11,12)13/h7-10H,4-6H2,1-3H3,(H,12,13)/t8-,9+,10-/m1/s1.
What are the key properties of fluoro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid?
fluoro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid has a molecular weight of 238.24 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid is sourced from PubChem (CID 12061186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).