[(R)-amino-(3,4-dichlorophenyl)methyl]phosphonic acid

C7H8Cl2NO3P — CID 11086348

IUPAC[(R)-amino-(3,4-dichlorophenyl)methyl]phosphonic acid
SMILESN[C@@H](c1ccc(Cl)c(Cl)c1)P(=O)(O)O
InChIInChI=1S/C7H8Cl2NO3P/c8-5-2-1-4(3-6(5)9)7(10)14(11,12)13/h1-3,7H,10H2,(H2,11,12,13)/t7-/m1/s1
InChIKeyBDTAUBLQGHLEIO-SSDOTTSWSA-N
MW256.03 g/mol
LogP2.13
Rot. Bonds2

About [(R)-amino-(3,4-dichlorophenyl)methyl]phosphonic acid

[(R)-amino-(3,4-dichlorophenyl)methyl]phosphonic acid (PubChem CID 11086348) has the molecular formula C7H8Cl2NO3P and a molecular weight of 256.03 g/mol. Its IUPAC name is [(R)-amino-(3,4-dichlorophenyl)methyl]phosphonic acid.

Molecular Properties

Compound Name[(R)-amino-(3,4-dichlorophenyl)methyl]phosphonic acid
PubChem CID11086348
Molecular FormulaC7H8Cl2NO3P
Molecular Weight256.03 g/mol
Exact Mass254.96
IUPAC Name[(R)-amino-(3,4-dichlorophenyl)methyl]phosphonic acid
SMILESN[C@@H](c1ccc(Cl)c(Cl)c1)P(=O)(O)O
InChIInChI=1S/C7H8Cl2NO3P/c8-5-2-1-4(3-6(5)9)7(10)14(11,12)13/h1-3,7H,10H2,(H2,11,12,13)/t7-/m1/s1
InChIKeyBDTAUBLQGHLEIO-SSDOTTSWSA-N
XLogP2.13
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.03
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[amino-(4-fluorophenyl)methyl]phosphonic acid
CID 15255733
[(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride
CID 138987682
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
[(S)-amino-(2-chlorophenyl)methyl]phosphonic acid
CID 101067310
(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
CID 28743731
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride
CID 155903191
1-amino-1-(3,4-dichlorophenyl)-2-methylpropan-2-ol
CID 116942155
[(3,4-dichlorophenyl)-[2-(hydroxyamino)-2-oxoethyl]sulfanylmethyl]phosphonic acid
CID 72711518
[amino-(4-methyl-3-nitrophenyl)methyl]phosphonic acid
CID 4830676
[1-(3,4-dichlorophenyl)-3-[formyl(hydroxy)amino]propyl]phosphonic acid
CID 15949469
[amino-[4-(diaminomethylideneamino)phenyl]methyl]phosphonic acid
CID 71734417
(2S)-2-amino-2-(3,4-dichlorophenyl)acetonitrile
CID 30082279

Frequently Asked Questions

What is the IUPAC name of [(R)-amino-(3,4-dichlorophenyl)methyl]phosphonic acid?
The IUPAC name of [(R)-amino-(3,4-dichlorophenyl)methyl]phosphonic acid (CID 11086348) is [(R)-amino-(3,4-dichlorophenyl)methyl]phosphonic acid.
What is the SMILES notation for [(R)-amino-(3,4-dichlorophenyl)methyl]phosphonic acid?
The canonical SMILES for [(R)-amino-(3,4-dichlorophenyl)methyl]phosphonic acid is N[C@@H](c1ccc(Cl)c(Cl)c1)P(=O)(O)O.
What is the InChIKey of [(R)-amino-(3,4-dichlorophenyl)methyl]phosphonic acid?
The InChIKey is BDTAUBLQGHLEIO-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H8Cl2NO3P/c8-5-2-1-4(3-6(5)9)7(10)14(11,12)13/h1-3,7H,10H2,(H2,11,12,13)/t7-/m1/s1.
What are the key properties of [(R)-amino-(3,4-dichlorophenyl)methyl]phosphonic acid?
[(R)-amino-(3,4-dichlorophenyl)methyl]phosphonic acid has a molecular weight of 256.03 g/mol, XLogP of 2.13, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-amino-(3,4-dichlorophenyl)methyl]phosphonic acid is sourced from PubChem (CID 11086348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).