1-[(2R)-2-azidopropyl]-5,6-difluoroindole

C11H10F2N4 — CID 10657439

IUPAC1-[(2R)-2-azidopropyl]-5,6-difluoroindole
SMILESC[C@H](Cn1ccc2cc(F)c(F)cc21)N=[N+]=[N-]
InChIInChI=1S/C11H10F2N4/c1-7(15-16-14)6-17-3-2-8-4-9(12)10(13)5-11(8)17/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyGVMHQKGONLCVJH-SSDOTTSWSA-N
MW236.23 g/mol
LogP3.62
Rot. Bonds3

About 1-[(2R)-2-azidopropyl]-5,6-difluoroindole

1-[(2R)-2-azidopropyl]-5,6-difluoroindole (PubChem CID 10657439) has the molecular formula C11H10F2N4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-[(2R)-2-azidopropyl]-5,6-difluoroindole.

Molecular Properties

Compound Name1-[(2R)-2-azidopropyl]-5,6-difluoroindole
PubChem CID10657439
Molecular FormulaC11H10F2N4
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name1-[(2R)-2-azidopropyl]-5,6-difluoroindole
SMILESC[C@H](Cn1ccc2cc(F)c(F)cc21)N=[N+]=[N-]
InChIInChI=1S/C11H10F2N4/c1-7(15-16-14)6-17-3-2-8-4-9(12)10(13)5-11(8)17/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyGVMHQKGONLCVJH-SSDOTTSWSA-N
XLogP3.62
TPSA53.69 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 53.62
H-Bond Donors ≤ 50
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-2-azidopropyl]-5-fluoro-6-propan-2-ylindole
CID 54453742
1-[(2S)-2-azidopropyl]-5-fluoro-3-methylindole
CID 54338968
5-fluoro-1-(2-methylpropyl)indole-6-carboxylic acid
CID 171845746
5-fluoro-1-(2-methylpropyl)-6-prop-1-en-2-ylindole
CID 169304667
1-(2-azidopropyl)-7-tert-butyl-4H-indeno[1,2-b]pyrrole
CID 19036501
5,6-difluoro-1-propan-2-ylindole
CID 90162254
(2S)-1-(5-fluoroindol-1-yl)propan-2-ol
CID 54045711
(2S)-1-(6-chloroindol-1-yl)propan-2-ol
CID 70160052
1-(6-fluoroindol-1-yl)propan-2-ol
CID 10488020
[(2S)-1-(5-chloro-6-fluoroindol-1-yl)propan-2-yl] methanesulfonate
CID 10686051
5-ethenyl-1-ethyl-6-fluoroindole
CID 123821106
1-(2,2-difluoroethyl)-6-methylindole
CID 116546869

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-azidopropyl]-5,6-difluoroindole?
The IUPAC name of 1-[(2R)-2-azidopropyl]-5,6-difluoroindole (CID 10657439) is 1-[(2R)-2-azidopropyl]-5,6-difluoroindole.
What is the SMILES notation for 1-[(2R)-2-azidopropyl]-5,6-difluoroindole?
The canonical SMILES for 1-[(2R)-2-azidopropyl]-5,6-difluoroindole is C[C@H](Cn1ccc2cc(F)c(F)cc21)N=[N+]=[N-].
What is the InChIKey of 1-[(2R)-2-azidopropyl]-5,6-difluoroindole?
The InChIKey is GVMHQKGONLCVJH-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10F2N4/c1-7(15-16-14)6-17-3-2-8-4-9(12)10(13)5-11(8)17/h2-5,7H,6H2,1H3/t7-/m1/s1.
What are the key properties of 1-[(2R)-2-azidopropyl]-5,6-difluoroindole?
1-[(2R)-2-azidopropyl]-5,6-difluoroindole has a molecular weight of 236.23 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-azidopropyl]-5,6-difluoroindole is sourced from PubChem (CID 10657439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).