(4-fluorocyclohexyl)oxy-methylphosphinic acid

C7H14FO3P — CID 175013206

IUPAC(4-fluorocyclohexyl)oxy-methylphosphinic acid
SMILESCP(=O)(O)OC1CCC(F)CC1
InChIInChI=1S/C7H14FO3P/c1-12(9,10)11-7-4-2-6(8)3-5-7/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyXAIRTQKJIJBZKB-UHFFFAOYSA-N
MW196.16 g/mol
LogP2.10
Rot. Bonds2

About (4-fluorocyclohexyl)oxy-methylphosphinic acid

(4-fluorocyclohexyl)oxy-methylphosphinic acid (PubChem CID 175013206) has the molecular formula C7H14FO3P and a molecular weight of 196.16 g/mol. Its IUPAC name is (4-fluorocyclohexyl)oxy-methylphosphinic acid.

Molecular Properties

Compound Name(4-fluorocyclohexyl)oxy-methylphosphinic acid
PubChem CID175013206
Molecular FormulaC7H14FO3P
Molecular Weight196.16 g/mol
Exact Mass196.07
IUPAC Name(4-fluorocyclohexyl)oxy-methylphosphinic acid
SMILESCP(=O)(O)OC1CCC(F)CC1
InChIInChI=1S/C7H14FO3P/c1-12(9,10)11-7-4-2-6(8)3-5-7/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyXAIRTQKJIJBZKB-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

(3-fluorocyclohexyl)oxy-methylphosphinic acid
CID 175015498
cyclohexanamine;(4,4-dihydroxycyclohexyl)oxy-methylphosphinic acid
CID 173185881
methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid
CID 58030070
cyclopropyloxy(2-oxopropanoyl)phosphinic acid
CID 87671920
(4-propan-2-ylcyclohexyl) dihydrogen phosphate
CID 168729161
bis(4-fluorocyclohexyl)methylphosphonic acid
CID 66796629
[fluoro(methyl)phosphoryl]oxycyclohexane
CID 14366907
dimethylphosphane;1-fluoro-4-(4-fluorocyclohexyl)oxycyclohexane
CID 139328560
hydroxy-methyl-(4-methylcyclohexyl)oxy-sulfanylidene-λ5-phosphane
CID 167523806
methyl-[(1S,2S,3S,4S,5R,6S)-2,4,5-trihydroxy-3,6-diphosphonooxycyclohexyl]oxyphosphinic acid
CID 18659642
cyclopentyloxy(ethenyl)phosphinic acid
CID 118440970
[fluoro(methyl)phosphoryl]oxycyclopentane;propane
CID 91381974

Frequently Asked Questions

What is the IUPAC name of (4-fluorocyclohexyl)oxy-methylphosphinic acid?
The IUPAC name of (4-fluorocyclohexyl)oxy-methylphosphinic acid (CID 175013206) is (4-fluorocyclohexyl)oxy-methylphosphinic acid.
What is the SMILES notation for (4-fluorocyclohexyl)oxy-methylphosphinic acid?
The canonical SMILES for (4-fluorocyclohexyl)oxy-methylphosphinic acid is CP(=O)(O)OC1CCC(F)CC1.
What is the InChIKey of (4-fluorocyclohexyl)oxy-methylphosphinic acid?
The InChIKey is XAIRTQKJIJBZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FO3P/c1-12(9,10)11-7-4-2-6(8)3-5-7/h6-7H,2-5H2,1H3,(H,9,10).
What are the key properties of (4-fluorocyclohexyl)oxy-methylphosphinic acid?
(4-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 (4-fluorocyclohexyl)oxy-methylphosphinic acid is sourced from PubChem (CID 175013206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).