1-[(2S)-2-azidopropyl]-6,7-difluoro-4,5-dihydro-1H-indene

C12H13F2N3 — CID 57277703

IUPAC1-[(2S)-2-azidopropyl]-6,7-difluoro-4,5-dihydro-1H-indene
SMILESC[C@@H](CC1C=CC2=C1C(F)=C(F)CC2)N=[N+]=[N-]
InChIInChI=1S/C12H13F2N3/c1-7(16-17-15)6-9-3-2-8-4-5-10(13)12(14)11(8)9/h2-3,7,9H,4-6H2,1H3/t7-,9?/m0/s1
InChIKeyUAQLWXCZBSWNBW-JAVCKPHESA-N
MW237.25 g/mol
LogP4.50
Rot. Bonds3

About 1-[(2S)-2-azidopropyl]-6,7-difluoro-4,5-dihydro-1H-indene

1-[(2S)-2-azidopropyl]-6,7-difluoro-4,5-dihydro-1H-indene (PubChem CID 57277703) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-[(2S)-2-azidopropyl]-6,7-difluoro-4,5-dihydro-1H-indene.

Molecular Properties

Compound Name1-[(2S)-2-azidopropyl]-6,7-difluoro-4,5-dihydro-1H-indene
PubChem CID57277703
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name1-[(2S)-2-azidopropyl]-6,7-difluoro-4,5-dihydro-1H-indene
SMILESC[C@@H](CC1C=CC2=C1C(F)=C(F)CC2)N=[N+]=[N-]
InChIInChI=1S/C12H13F2N3/c1-7(16-17-15)6-9-3-2-8-4-5-10(13)12(14)11(8)9/h2-3,7,9H,4-6H2,1H3/t7-,9?/m0/s1
InChIKeyUAQLWXCZBSWNBW-JAVCKPHESA-N
XLogP4.50
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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]-7-fluoro-4,4-dimethyl-1,5-dihydroindene
CID 56989174
1-[(2S)-2-azidopropyl]-7-fluoro-4,5-dihydro-1H-indene
CID 57025014
1-[(2R)-2-azidopropyl]-7-fluoro-4,5-dihydro-1H-indene
CID 57079523
1-(2-Azidopropyl)-7-fluoro-4,4-dimethyl-1,5-dihydroindene
CID 57152144
1-(2-azidopropyl)-6-fluoro-4,5-dihydro-1H-indene
CID 57205619
1-[(2S)-2-azidopropyl]-6-fluoro-4,5-dihydro-1H-indene
CID 57305500
1-(2-azidopropyl)-5-methyl-4,5-dihydro-1H-indene
CID 56982295
1-(2-azidopropyl)-7-chloro-4,5-dihydro-1H-indene
CID 56997494
1-(2-azidopropyl)-7-methyl-4,5-dihydro-1H-indene
CID 57000653
1-[(2S)-2-azidopropyl]-7-methyl-4,5-dihydro-1H-indene
CID 57004198
1-(2-Azidopropyl)-4,4,7-trimethyl-1,5-dihydroindene
CID 57040884
1-[(2S)-2-azidopropyl]-7-ethyl-4,5-dihydro-1H-indene
CID 57044198

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-azidopropyl]-6,7-difluoro-4,5-dihydro-1H-indene?
The IUPAC name of 1-[(2S)-2-azidopropyl]-6,7-difluoro-4,5-dihydro-1H-indene (CID 57277703) is 1-[(2S)-2-azidopropyl]-6,7-difluoro-4,5-dihydro-1H-indene.
What is the SMILES notation for 1-[(2S)-2-azidopropyl]-6,7-difluoro-4,5-dihydro-1H-indene?
The canonical SMILES for 1-[(2S)-2-azidopropyl]-6,7-difluoro-4,5-dihydro-1H-indene is C[C@@H](CC1C=CC2=C1C(F)=C(F)CC2)N=[N+]=[N-].
What is the InChIKey of 1-[(2S)-2-azidopropyl]-6,7-difluoro-4,5-dihydro-1H-indene?
The InChIKey is UAQLWXCZBSWNBW-JAVCKPHESA-N. The full InChI is InChI=1S/C12H13F2N3/c1-7(16-17-15)6-9-3-2-8-4-5-10(13)12(14)11(8)9/h2-3,7,9H,4-6H2,1H3/t7-,9?/m0/s1.
What are the key properties of 1-[(2S)-2-azidopropyl]-6,7-difluoro-4,5-dihydro-1H-indene?
1-[(2S)-2-azidopropyl]-6,7-difluoro-4,5-dihydro-1H-indene has a molecular weight of 237.25 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-azidopropyl]-6,7-difluoro-4,5-dihydro-1H-indene is sourced from PubChem (CID 57277703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).