4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N'-hydroxybenzenecarboximidamide

C11H14FN5O2 — CID 90861352

IUPAC4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N'-hydroxybenzenecarboximidamide
SMILESCO[C@H](c1ccc(C(N)=NO)cc1)[C@@H](CF)N=[N+]=[N-]
InChIInChI=1S/C11H14FN5O2/c1-19-10(9(6-12)15-17-14)7-2-4-8(5-3-7)11(13)16-18/h2-5,9-10,18H,6H2,1H3,(H2,13,16)/t9-,10-/m1/s1
InChIKeyPTXMCDPNSJXFPQ-NXEZZACHSA-N
MW267.26 g/mol
LogP2.12
Rot. Bonds6

About 4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N'-hydroxybenzenecarboximidamide

4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 90861352) has the molecular formula C11H14FN5O2 and a molecular weight of 267.26 g/mol. Its IUPAC name is 4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N'-hydroxybenzenecarboximidamide
PubChem CID90861352
Molecular FormulaC11H14FN5O2
Molecular Weight267.26 g/mol
Exact Mass267.11
IUPAC Name4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N'-hydroxybenzenecarboximidamide
SMILESCO[C@H](c1ccc(C(N)=NO)cc1)[C@@H](CF)N=[N+]=[N-]
InChIInChI=1S/C11H14FN5O2/c1-19-10(9(6-12)15-17-14)7-2-4-8(5-3-7)11(13)16-18/h2-5,9-10,18H,6H2,1H3,(H2,13,16)/t9-,10-/m1/s1
InChIKeyPTXMCDPNSJXFPQ-NXEZZACHSA-N
XLogP2.12
TPSA116.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N'-hydroxybenzenecarboximidamide (CID 90861352) is 4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N'-hydroxybenzenecarboximidamide is CO[C@H](c1ccc(C(N)=NO)cc1)[C@@H](CF)N=[N+]=[N-].
What is the InChIKey of 4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is PTXMCDPNSJXFPQ-NXEZZACHSA-N. The full InChI is InChI=1S/C11H14FN5O2/c1-19-10(9(6-12)15-17-14)7-2-4-8(5-3-7)11(13)16-18/h2-5,9-10,18H,6H2,1H3,(H2,13,16)/t9-,10-/m1/s1.
What are the key properties of 4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N'-hydroxybenzenecarboximidamide?
4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 267.26 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 90861352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).