1-(4-azido-2-fluorophenyl)-N-diaminophosphorylmethanamine

C7H10FN6OP — CID 91546046

IUPAC1-(4-azido-2-fluorophenyl)-N-diaminophosphorylmethanamine
SMILES[N-]=[N+]=Nc1ccc(CNP(N)(N)=O)c(F)c1
InChIInChI=1S/C7H10FN6OP/c8-7-3-6(13-14-9)2-1-5(7)4-12-16(10,11)15/h1-3H,4H2,(H5,10,11,12,15)
InChIKeyAVUCNHQHNIGZGS-UHFFFAOYSA-N
MW244.17 g/mol
LogP1.88
Rot. Bonds4

About 1-(4-azido-2-fluorophenyl)-N-diaminophosphorylmethanamine

1-(4-azido-2-fluorophenyl)-N-diaminophosphorylmethanamine (PubChem CID 91546046) has the molecular formula C7H10FN6OP and a molecular weight of 244.17 g/mol. Its IUPAC name is 1-(4-azido-2-fluorophenyl)-N-diaminophosphorylmethanamine.

Molecular Properties

Compound Name1-(4-azido-2-fluorophenyl)-N-diaminophosphorylmethanamine
PubChem CID91546046
Molecular FormulaC7H10FN6OP
Molecular Weight244.17 g/mol
Exact Mass244.06
IUPAC Name1-(4-azido-2-fluorophenyl)-N-diaminophosphorylmethanamine
SMILES[N-]=[N+]=Nc1ccc(CNP(N)(N)=O)c(F)c1
InChIInChI=1S/C7H10FN6OP/c8-7-3-6(13-14-9)2-1-5(7)4-12-16(10,11)15/h1-3H,4H2,(H5,10,11,12,15)
InChIKeyAVUCNHQHNIGZGS-UHFFFAOYSA-N
XLogP1.88
TPSA129.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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CID 140535519
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4-azido-1-butyl-2-nitrobenzene
CID 123790313
7-azido-4-fluoro-2H-isoquinolin-1-one
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5-azido-1,3-difluoro-2-(2-fluorophenyl)benzene
CID 155670761
2-(3-azidophenyl)acetamide
CID 12836490
[1-(4-azido-2-fluorophenyl)imidazol-4-yl]methanol
CID 58758344
5-azido-1,3-difluoro-2-(3-fluorophenyl)benzene
CID 155670753
1-(4-azido-2-fluorophenoxy)-3-chloro-2-fluorobenzene
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Frequently Asked Questions

What is the IUPAC name of 1-(4-azido-2-fluorophenyl)-N-diaminophosphorylmethanamine?
The IUPAC name of 1-(4-azido-2-fluorophenyl)-N-diaminophosphorylmethanamine (CID 91546046) is 1-(4-azido-2-fluorophenyl)-N-diaminophosphorylmethanamine.
What is the SMILES notation for 1-(4-azido-2-fluorophenyl)-N-diaminophosphorylmethanamine?
The canonical SMILES for 1-(4-azido-2-fluorophenyl)-N-diaminophosphorylmethanamine is [N-]=[N+]=Nc1ccc(CNP(N)(N)=O)c(F)c1.
What is the InChIKey of 1-(4-azido-2-fluorophenyl)-N-diaminophosphorylmethanamine?
The InChIKey is AVUCNHQHNIGZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN6OP/c8-7-3-6(13-14-9)2-1-5(7)4-12-16(10,11)15/h1-3H,4H2,(H5,10,11,12,15).
What are the key properties of 1-(4-azido-2-fluorophenyl)-N-diaminophosphorylmethanamine?
1-(4-azido-2-fluorophenyl)-N-diaminophosphorylmethanamine has a molecular weight of 244.17 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-azido-2-fluorophenyl)-N-diaminophosphorylmethanamine is sourced from PubChem (CID 91546046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).