(4-ethyl-4-methylcyclohexyl)methyl-fluorophosphinic acid

C10H20FO2P — CID 23597223

IUPAC(4-ethyl-4-methylcyclohexyl)methyl-fluorophosphinic acid
SMILESCCC1(C)CCC(CP(=O)(O)F)CC1
InChIInChI=1S/C10H20FO2P/c1-3-10(2)6-4-9(5-7-10)8-14(11,12)13/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyFPJUGVRWUIFYNB-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.75
Rot. Bonds3

About (4-ethyl-4-methylcyclohexyl)methyl-fluorophosphinic acid

(4-ethyl-4-methylcyclohexyl)methyl-fluorophosphinic acid (PubChem CID 23597223) has the molecular formula C10H20FO2P and a molecular weight of 222.24 g/mol. Its IUPAC name is (4-ethyl-4-methylcyclohexyl)methyl-fluorophosphinic acid.

Molecular Properties

Compound Name(4-ethyl-4-methylcyclohexyl)methyl-fluorophosphinic acid
PubChem CID23597223
Molecular FormulaC10H20FO2P
Molecular Weight222.24 g/mol
Exact Mass222.12
IUPAC Name(4-ethyl-4-methylcyclohexyl)methyl-fluorophosphinic acid
SMILESCCC1(C)CCC(CP(=O)(O)F)CC1
InChIInChI=1S/C10H20FO2P/c1-3-10(2)6-4-9(5-7-10)8-14(11,12)13/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyFPJUGVRWUIFYNB-UHFFFAOYSA-N
XLogP3.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.75
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 (4-ethyl-4-methylcyclohexyl)methyl-fluorophosphinic acid?
The IUPAC name of (4-ethyl-4-methylcyclohexyl)methyl-fluorophosphinic acid (CID 23597223) is (4-ethyl-4-methylcyclohexyl)methyl-fluorophosphinic acid.
What is the SMILES notation for (4-ethyl-4-methylcyclohexyl)methyl-fluorophosphinic acid?
The canonical SMILES for (4-ethyl-4-methylcyclohexyl)methyl-fluorophosphinic acid is CCC1(C)CCC(CP(=O)(O)F)CC1.
What is the InChIKey of (4-ethyl-4-methylcyclohexyl)methyl-fluorophosphinic acid?
The InChIKey is FPJUGVRWUIFYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FO2P/c1-3-10(2)6-4-9(5-7-10)8-14(11,12)13/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of (4-ethyl-4-methylcyclohexyl)methyl-fluorophosphinic acid?
(4-ethyl-4-methylcyclohexyl)methyl-fluorophosphinic acid has a molecular weight of 222.24 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-4-methylcyclohexyl)methyl-fluorophosphinic acid is sourced from PubChem (CID 23597223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).