1-(2-azidopropyl)-7-fluoro-4,4-dimethyl-1,5-dihydroindene

C14H18FN3 — CID 57152144

IUPAC1-(2-azidopropyl)-7-fluoro-4,4-dimethyl-1,5-dihydroindene
SMILESCC(CC1C=CC2=C1C(F)=CCC2(C)C)N=[N+]=[N-]
InChIInChI=1S/C14H18FN3/c1-9(17-18-16)8-10-4-5-11-13(10)12(15)6-7-14(11,2)3/h4-6,9-10H,7-8H2,1-3H3
InChIKeyXFIRZFYIGPOKMY-UHFFFAOYSA-N
MW247.32 g/mol
LogP4.84
Rot. Bonds3

About 1-(2-azidopropyl)-7-fluoro-4,4-dimethyl-1,5-dihydroindene

1-(2-azidopropyl)-7-fluoro-4,4-dimethyl-1,5-dihydroindene (PubChem CID 57152144) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(2-azidopropyl)-7-fluoro-4,4-dimethyl-1,5-dihydroindene.

Molecular Properties

Compound Name1-(2-azidopropyl)-7-fluoro-4,4-dimethyl-1,5-dihydroindene
PubChem CID57152144
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-(2-azidopropyl)-7-fluoro-4,4-dimethyl-1,5-dihydroindene
SMILESCC(CC1C=CC2=C1C(F)=CCC2(C)C)N=[N+]=[N-]
InChIInChI=1S/C14H18FN3/c1-9(17-18-16)8-10-4-5-11-13(10)12(15)6-7-14(11,2)3/h4-6,9-10H,7-8H2,1-3H3
InChIKeyXFIRZFYIGPOKMY-UHFFFAOYSA-N
XLogP4.84
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 54.84
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)-6-fluoro-4,5-dihydro-1H-indene
CID 57205619
1-[(2S)-2-azidopropyl]-6,7-difluoro-4,5-dihydro-1H-indene
CID 57277703
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-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
1-[(2S)-2-azidopropyl]-4,4,7-trimethyl-1,5-dihydroindene
CID 57130736

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidopropyl)-7-fluoro-4,4-dimethyl-1,5-dihydroindene?
The IUPAC name of 1-(2-azidopropyl)-7-fluoro-4,4-dimethyl-1,5-dihydroindene (CID 57152144) is 1-(2-azidopropyl)-7-fluoro-4,4-dimethyl-1,5-dihydroindene.
What is the SMILES notation for 1-(2-azidopropyl)-7-fluoro-4,4-dimethyl-1,5-dihydroindene?
The canonical SMILES for 1-(2-azidopropyl)-7-fluoro-4,4-dimethyl-1,5-dihydroindene is CC(CC1C=CC2=C1C(F)=CCC2(C)C)N=[N+]=[N-].
What is the InChIKey of 1-(2-azidopropyl)-7-fluoro-4,4-dimethyl-1,5-dihydroindene?
The InChIKey is XFIRZFYIGPOKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-9(17-18-16)8-10-4-5-11-13(10)12(15)6-7-14(11,2)3/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 1-(2-azidopropyl)-7-fluoro-4,4-dimethyl-1,5-dihydroindene?
1-(2-azidopropyl)-7-fluoro-4,4-dimethyl-1,5-dihydroindene has a molecular weight of 247.32 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidopropyl)-7-fluoro-4,4-dimethyl-1,5-dihydroindene is sourced from PubChem (CID 57152144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).