[(3,5-difluorophenyl)-[2-(hydroxyamino)-2-oxoethyl]sulfanylmethyl]phosphonic acid

C9H10F2NO5PS — CID 155560634

IUPAC[(3,5-difluorophenyl)-[2-(hydroxyamino)-2-oxoethyl]sulfanylmethyl]phosphonic acid
SMILESO=C(CSC(c1cc(F)cc(F)c1)P(=O)(O)O)NO
InChIInChI=1S/C9H10F2NO5PS/c10-6-1-5(2-7(11)3-6)9(18(15,16)17)19-4-8(13)12-14/h1-3,9,14H,4H2,(H,12,13)(H2,15,16,17)
InChIKeyCHWZNLZHQNRDMJ-UHFFFAOYSA-N
MW313.22 g/mol
LogP1.38
Rot. Bonds5

About [(3,5-difluorophenyl)-[2-(hydroxyamino)-2-oxoethyl]sulfanylmethyl]phosphonic acid

[(3,5-difluorophenyl)-[2-(hydroxyamino)-2-oxoethyl]sulfanylmethyl]phosphonic acid (PubChem CID 155560634) has the molecular formula C9H10F2NO5PS and a molecular weight of 313.22 g/mol. Its IUPAC name is [(3,5-difluorophenyl)-[2-(hydroxyamino)-2-oxoethyl]sulfanylmethyl]phosphonic acid.

Molecular Properties

Compound Name[(3,5-difluorophenyl)-[2-(hydroxyamino)-2-oxoethyl]sulfanylmethyl]phosphonic acid
PubChem CID155560634
Molecular FormulaC9H10F2NO5PS
Molecular Weight313.22 g/mol
Exact Mass313.00
IUPAC Name[(3,5-difluorophenyl)-[2-(hydroxyamino)-2-oxoethyl]sulfanylmethyl]phosphonic acid
SMILESO=C(CSC(c1cc(F)cc(F)c1)P(=O)(O)O)NO
InChIInChI=1S/C9H10F2NO5PS/c10-6-1-5(2-7(11)3-6)9(18(15,16)17)19-4-8(13)12-14/h1-3,9,14H,4H2,(H,12,13)(H2,15,16,17)
InChIKeyCHWZNLZHQNRDMJ-UHFFFAOYSA-N
XLogP1.38
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(3,4-dichlorophenyl)-[2-(hydroxyamino)-2-oxoethyl]sulfanylmethyl]phosphonic acid
CID 72711518
2-[diethoxyphosphoryl-(3,4-difluorophenyl)methyl]sulfanyl-N-hydroxyacetamide
CID 72711297
2-[2-(3,5-difluoroanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43241622
N-[1-(3,5-difluorophenyl)ethyl]pentanamide
CID 141128991
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide
CID 60540976
methyl 3-(3,5-difluorophenyl)-3-hydroxypropanoate
CID 19770417
2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 34233996
N-(3,5-difluorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 134061510
(3,5-difluorophenyl)methanediol
CID 142893041
methyl 2-(3,5-difluorophenyl)-2-fluoroacetate
CID 22312713
(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride
CID 70033662
1-amino-1-(3,5-difluorophenyl)propan-2-one
CID 55271172

Frequently Asked Questions

What is the IUPAC name of [(3,5-difluorophenyl)-[2-(hydroxyamino)-2-oxoethyl]sulfanylmethyl]phosphonic acid?
The IUPAC name of [(3,5-difluorophenyl)-[2-(hydroxyamino)-2-oxoethyl]sulfanylmethyl]phosphonic acid (CID 155560634) is [(3,5-difluorophenyl)-[2-(hydroxyamino)-2-oxoethyl]sulfanylmethyl]phosphonic acid.
What is the SMILES notation for [(3,5-difluorophenyl)-[2-(hydroxyamino)-2-oxoethyl]sulfanylmethyl]phosphonic acid?
The canonical SMILES for [(3,5-difluorophenyl)-[2-(hydroxyamino)-2-oxoethyl]sulfanylmethyl]phosphonic acid is O=C(CSC(c1cc(F)cc(F)c1)P(=O)(O)O)NO.
What is the InChIKey of [(3,5-difluorophenyl)-[2-(hydroxyamino)-2-oxoethyl]sulfanylmethyl]phosphonic acid?
The InChIKey is CHWZNLZHQNRDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2NO5PS/c10-6-1-5(2-7(11)3-6)9(18(15,16)17)19-4-8(13)12-14/h1-3,9,14H,4H2,(H,12,13)(H2,15,16,17).
What are the key properties of [(3,5-difluorophenyl)-[2-(hydroxyamino)-2-oxoethyl]sulfanylmethyl]phosphonic acid?
[(3,5-difluorophenyl)-[2-(hydroxyamino)-2-oxoethyl]sulfanylmethyl]phosphonic acid has a molecular weight of 313.22 g/mol, XLogP of 1.38, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-difluorophenyl)-[2-(hydroxyamino)-2-oxoethyl]sulfanylmethyl]phosphonic acid is sourced from PubChem (CID 155560634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).