[(1R)-1-(4-fluorophenyl)ethyl]phosphonic acid

C8H10FO3P — CID 102291812

IUPAC[(1R)-1-(4-fluorophenyl)ethyl]phosphonic acid
SMILESC[C@H](c1ccc(F)cc1)P(=O)(O)O
InChIInChI=1S/C8H10FO3P/c1-6(13(10,11)12)7-2-4-8(9)5-3-7/h2-6H,1H3,(H2,10,11,12)/t6-/m1/s1
InChIKeyWWTCSDNZQYAGOZ-ZCFIWIBFSA-N
MW204.14 g/mol
LogP2.06
Rot. Bonds2

About [(1R)-1-(4-fluorophenyl)ethyl]phosphonic acid

[(1R)-1-(4-fluorophenyl)ethyl]phosphonic acid (PubChem CID 102291812) has the molecular formula C8H10FO3P and a molecular weight of 204.14 g/mol. Its IUPAC name is [(1R)-1-(4-fluorophenyl)ethyl]phosphonic acid.

Molecular Properties

Compound Name[(1R)-1-(4-fluorophenyl)ethyl]phosphonic acid
PubChem CID102291812
Molecular FormulaC8H10FO3P
Molecular Weight204.14 g/mol
Exact Mass204.04
IUPAC Name[(1R)-1-(4-fluorophenyl)ethyl]phosphonic acid
SMILESC[C@H](c1ccc(F)cc1)P(=O)(O)O
InChIInChI=1S/C8H10FO3P/c1-6(13(10,11)12)7-2-4-8(9)5-3-7/h2-6H,1H3,(H2,10,11,12)/t6-/m1/s1
InChIKeyWWTCSDNZQYAGOZ-ZCFIWIBFSA-N
XLogP2.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.14
LogP ≤ 52.06
H-Bond Donors ≤ 52
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 [(1R)-1-(4-fluorophenyl)ethyl]phosphonic acid?
The IUPAC name of [(1R)-1-(4-fluorophenyl)ethyl]phosphonic acid (CID 102291812) is [(1R)-1-(4-fluorophenyl)ethyl]phosphonic acid.
What is the SMILES notation for [(1R)-1-(4-fluorophenyl)ethyl]phosphonic acid?
The canonical SMILES for [(1R)-1-(4-fluorophenyl)ethyl]phosphonic acid is C[C@H](c1ccc(F)cc1)P(=O)(O)O.
What is the InChIKey of [(1R)-1-(4-fluorophenyl)ethyl]phosphonic acid?
The InChIKey is WWTCSDNZQYAGOZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H10FO3P/c1-6(13(10,11)12)7-2-4-8(9)5-3-7/h2-6H,1H3,(H2,10,11,12)/t6-/m1/s1.
What are the key properties of [(1R)-1-(4-fluorophenyl)ethyl]phosphonic acid?
[(1R)-1-(4-fluorophenyl)ethyl]phosphonic acid has a molecular weight of 204.14 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-fluorophenyl)ethyl]phosphonic acid is sourced from PubChem (CID 102291812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).