azidomethane;trifluoromethylbenzene

C8H8F3N3 — CID 175515573

IUPACazidomethane;trifluoromethylbenzene
SMILESCN=[N+]=[N-].FC(F)(F)c1ccccc1
InChIInChI=1S/C7H5F3.CH3N3/c8-7(9,10)6-4-2-1-3-5-6;1-3-4-2/h1-5H;1H3
InChIKeySSNOCLVSMMCYBJ-UHFFFAOYSA-N
MW203.17 g/mol
LogP3.63
Rot. Bonds

About azidomethane;trifluoromethylbenzene

azidomethane;trifluoromethylbenzene (PubChem CID 175515573) has the molecular formula C8H8F3N3 and a molecular weight of 203.17 g/mol. Its IUPAC name is azidomethane;trifluoromethylbenzene.

Molecular Properties

Compound Nameazidomethane;trifluoromethylbenzene
PubChem CID175515573
Molecular FormulaC8H8F3N3
Molecular Weight203.17 g/mol
Exact Mass203.07
IUPAC Nameazidomethane;trifluoromethylbenzene
SMILESCN=[N+]=[N-].FC(F)(F)c1ccccc1
InChIInChI=1S/C7H5F3.CH3N3/c8-7(9,10)6-4-2-1-3-5-6;1-3-4-2/h1-5H;1H3
InChIKeySSNOCLVSMMCYBJ-UHFFFAOYSA-N
XLogP3.63
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 53.63
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

ethane;bis(trifluoromethylbenzene)
CID 142912000
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
azidomethane;benzene
CID 162077084
ethane;toluene;trifluoromethylbenzene
CID 161105309
1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene
CID 154308793
chlorobenzene;trifluoromethylbenzene
CID 159341337
[1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene
CID 66729803
diphenyl-[4-(trifluoromethyl)phenyl]methanol
CID 569997
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
phenylsulfanylbenzene;trifluoromethylbenzene
CID 171924180
2-methylprop-2-enoic acid;trifluoromethylbenzene
CID 175145896

Frequently Asked Questions

What is the IUPAC name of azidomethane;trifluoromethylbenzene?
The IUPAC name of azidomethane;trifluoromethylbenzene (CID 175515573) is azidomethane;trifluoromethylbenzene.
What is the SMILES notation for azidomethane;trifluoromethylbenzene?
The canonical SMILES for azidomethane;trifluoromethylbenzene is CN=[N+]=[N-].FC(F)(F)c1ccccc1.
What is the InChIKey of azidomethane;trifluoromethylbenzene?
The InChIKey is SSNOCLVSMMCYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3.CH3N3/c8-7(9,10)6-4-2-1-3-5-6;1-3-4-2/h1-5H;1H3.
What are the key properties of azidomethane;trifluoromethylbenzene?
azidomethane;trifluoromethylbenzene has a molecular weight of 203.17 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azidomethane;trifluoromethylbenzene is sourced from PubChem (CID 175515573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).