(3-fluorocyclohexyl)oxy-methylphosphinic acid

C7H14FO3P — CID 175015498

IUPAC(3-fluorocyclohexyl)oxy-methylphosphinic acid
SMILESCP(=O)(O)OC1CCCC(F)C1
InChIInChI=1S/C7H14FO3P/c1-12(9,10)11-7-4-2-3-6(8)5-7/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyOTBNUXACOJWSHY-UHFFFAOYSA-N
MW196.16 g/mol
LogP2.10
Rot. Bonds2

About (3-fluorocyclohexyl)oxy-methylphosphinic acid

(3-fluorocyclohexyl)oxy-methylphosphinic acid (PubChem CID 175015498) has the molecular formula C7H14FO3P and a molecular weight of 196.16 g/mol. Its IUPAC name is (3-fluorocyclohexyl)oxy-methylphosphinic acid.

Molecular Properties

Compound Name(3-fluorocyclohexyl)oxy-methylphosphinic acid
PubChem CID175015498
Molecular FormulaC7H14FO3P
Molecular Weight196.16 g/mol
Exact Mass196.07
IUPAC Name(3-fluorocyclohexyl)oxy-methylphosphinic acid
SMILESCP(=O)(O)OC1CCCC(F)C1
InChIInChI=1S/C7H14FO3P/c1-12(9,10)11-7-4-2-3-6(8)5-7/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyOTBNUXACOJWSHY-UHFFFAOYSA-N
XLogP2.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-fluorocyclohexyl)oxy-methylphosphinic acid
CID 175013206
(3-fluorocyclohexyl) carbamate
CID 175956414
(3-fluorocyclohexyl)phosphonic acid
CID 67504081
1-[ethyl(methyl)phosphoryl]-3-fluorocyclohexane
CID 66729831
[fluoro(methyl)phosphoryl]oxycyclohexane
CID 14366907
(3-fluorocyclohexyl) methyl sulfate
CID 87155025
1-dimethylphosphoryloxy-3-methylcyclohexane
CID 154198926
cyclohexanamine;(4,4-dihydroxycyclohexyl)oxy-methylphosphinic acid
CID 173185881
tricyclobutyl phosphate
CID 66609052
methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid
CID 58030070
[(1S,3R)-3-fluorocyclopentyl] carbamate
CID 175108373
cyclopentyloxy(ethenyl)phosphinic acid
CID 118440970

Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclohexyl)oxy-methylphosphinic acid?
The IUPAC name of (3-fluorocyclohexyl)oxy-methylphosphinic acid (CID 175015498) is (3-fluorocyclohexyl)oxy-methylphosphinic acid.
What is the SMILES notation for (3-fluorocyclohexyl)oxy-methylphosphinic acid?
The canonical SMILES for (3-fluorocyclohexyl)oxy-methylphosphinic acid is CP(=O)(O)OC1CCCC(F)C1.
What is the InChIKey of (3-fluorocyclohexyl)oxy-methylphosphinic acid?
The InChIKey is OTBNUXACOJWSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FO3P/c1-12(9,10)11-7-4-2-3-6(8)5-7/h6-7H,2-5H2,1H3,(H,9,10).
What are the key properties of (3-fluorocyclohexyl)oxy-methylphosphinic acid?
(3-fluorocyclohexyl)oxy-methylphosphinic acid has a molecular weight of 196.16 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclohexyl)oxy-methylphosphinic acid is sourced from PubChem (CID 175015498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).