[2-[(1R,3S)-3-fluorocyclopentyl]-1-hydroxy-1-phosphonoethyl]phosphonic acid

C7H15FO7P2 — CID 135389665

IUPAC[2-[(1R,3S)-3-fluorocyclopentyl]-1-hydroxy-1-phosphonoethyl]phosphonic acid
SMILESO=P(O)(O)C(O)(C[C@@H]1CC[C@H](F)C1)P(=O)(O)O
InChIInChI=1S/C7H15FO7P2/c8-6-2-1-5(3-6)4-7(9,16(10,11)12)17(13,14)15/h5-6,9H,1-4H2,(H2,10,11,12)(H2,13,14,15)/t5-,6+/m1/s1
InChIKeyOFYMHEOTPGSMRK-RITPCOANSA-N
MW292.14 g/mol
LogP0.52
Rot. Bonds4

About [2-[(1R,3S)-3-fluorocyclopentyl]-1-hydroxy-1-phosphonoethyl]phosphonic acid

[2-[(1R,3S)-3-fluorocyclopentyl]-1-hydroxy-1-phosphonoethyl]phosphonic acid (PubChem CID 135389665) has the molecular formula C7H15FO7P2 and a molecular weight of 292.14 g/mol. Its IUPAC name is [2-[(1R,3S)-3-fluorocyclopentyl]-1-hydroxy-1-phosphonoethyl]phosphonic acid.

Molecular Properties

Compound Name[2-[(1R,3S)-3-fluorocyclopentyl]-1-hydroxy-1-phosphonoethyl]phosphonic acid
PubChem CID135389665
Molecular FormulaC7H15FO7P2
Molecular Weight292.14 g/mol
Exact Mass292.03
IUPAC Name[2-[(1R,3S)-3-fluorocyclopentyl]-1-hydroxy-1-phosphonoethyl]phosphonic acid
SMILESO=P(O)(O)C(O)(C[C@@H]1CC[C@H](F)C1)P(=O)(O)O
InChIInChI=1S/C7H15FO7P2/c8-6-2-1-5(3-6)4-7(9,16(10,11)12)17(13,14)15/h5-6,9H,1-4H2,(H2,10,11,12)(H2,13,14,15)/t5-,6+/m1/s1
InChIKeyOFYMHEOTPGSMRK-RITPCOANSA-N
XLogP0.52
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 50.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,3R)-3-fluorocyclopentyl]acetic acid
CID 105428900
2-[(1R,3R)-3-fluorocyclopentyl]acetic acid
CID 135389382
disodium;hydride;[1-hydroxy-1-phosphono-2-(3,3,5,5-tetramethylcyclohexyl)ethyl]phosphonic acid
CID 175194204
disodium;[1-hydroxy-1-phosphonato-2-(3,3,4,4-tetramethylcyclopentyl)ethyl]phosphonic acid
CID 169424489
calcium;(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid;hydride
CID 173126792
[1-hydroxy-1-phosphono-2-[2-(3-sulfanylpropyl)cyclopentyl]ethyl]phosphonic acid
CID 54487047
disodium;(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid;hydride
CID 172998840
2-(3-fluorocyclopentyl)ethanesulfonyl chloride
CID 105468164
(3-fluorocyclohexyl)phosphonic acid
CID 67504081
sodium;(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid;hydride;hydrate
CID 173035382
[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)-2H-imidazol-1-yl]-1-phosphonoethyl]phosphonic acid
CID 162301474
potassium;sodium;(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid;hydride;hydrate
CID 173273911

Frequently Asked Questions

What is the IUPAC name of [2-[(1R,3S)-3-fluorocyclopentyl]-1-hydroxy-1-phosphonoethyl]phosphonic acid?
The IUPAC name of [2-[(1R,3S)-3-fluorocyclopentyl]-1-hydroxy-1-phosphonoethyl]phosphonic acid (CID 135389665) is [2-[(1R,3S)-3-fluorocyclopentyl]-1-hydroxy-1-phosphonoethyl]phosphonic acid.
What is the SMILES notation for [2-[(1R,3S)-3-fluorocyclopentyl]-1-hydroxy-1-phosphonoethyl]phosphonic acid?
The canonical SMILES for [2-[(1R,3S)-3-fluorocyclopentyl]-1-hydroxy-1-phosphonoethyl]phosphonic acid is O=P(O)(O)C(O)(C[C@@H]1CC[C@H](F)C1)P(=O)(O)O.
What is the InChIKey of [2-[(1R,3S)-3-fluorocyclopentyl]-1-hydroxy-1-phosphonoethyl]phosphonic acid?
The InChIKey is OFYMHEOTPGSMRK-RITPCOANSA-N. The full InChI is InChI=1S/C7H15FO7P2/c8-6-2-1-5(3-6)4-7(9,16(10,11)12)17(13,14)15/h5-6,9H,1-4H2,(H2,10,11,12)(H2,13,14,15)/t5-,6+/m1/s1.
What are the key properties of [2-[(1R,3S)-3-fluorocyclopentyl]-1-hydroxy-1-phosphonoethyl]phosphonic acid?
[2-[(1R,3S)-3-fluorocyclopentyl]-1-hydroxy-1-phosphonoethyl]phosphonic acid has a molecular weight of 292.14 g/mol, XLogP of 0.52, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R,3S)-3-fluorocyclopentyl]-1-hydroxy-1-phosphonoethyl]phosphonic acid is sourced from PubChem (CID 135389665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).