3-fluoro-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene

C3F4N3- — CID 58361887

IUPAC3-fluoro-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
SMILESFc1nnc(C(F)(F)F)[n-]1
InChIInChI=1S/C3F4N3/c4-2-8-1(9-10-2)3(5,6)7/q-1
InChIKeyCBSNDKIHBLVWFM-UHFFFAOYSA-N
MW154.05 g/mol
LogP0.59
Rot. Bonds

About 3-fluoro-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene

3-fluoro-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene (PubChem CID 58361887) has the molecular formula C3F4N3- and a molecular weight of 154.05 g/mol. Its IUPAC name is 3-fluoro-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene.

Molecular Properties

Compound Name3-fluoro-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
PubChem CID58361887
Molecular FormulaC3F4N3-
Molecular Weight154.05 g/mol
Exact Mass154.00
IUPAC Name3-fluoro-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
SMILESFc1nnc(C(F)(F)F)[n-]1
InChIInChI=1S/C3F4N3/c4-2-8-1(9-10-2)3(5,6)7/q-1
InChIKeyCBSNDKIHBLVWFM-UHFFFAOYSA-N
XLogP0.59
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.05
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Bis(trifluoromethyl)-4H-1,2,4-triazol-4-amine
CID 14296378
3,5-Bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
CID 20746470
3-Isocyano-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
CID 20746471
3-fluoro-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 22956420
3-Methyl-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
CID 51397714
3-Fluoro-1-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 59173009
5-Fluoro-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 59585164
4-Iodo-3,5-bis(trifluoromethyl)-1,2,4-triazole
CID 146604419
4-Chloro-3,5-bis(trifluoromethyl)-1,2,4-triazole
CID 146620554
1-Iodo-3,5-bis(trifluoromethyl)-1,2,4-triazole
CID 149004629
Lithium 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
CID 153493310
Potassium 3-isocyano-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
CID 158223123

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene?
The IUPAC name of 3-fluoro-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene (CID 58361887) is 3-fluoro-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene.
What is the SMILES notation for 3-fluoro-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene?
The canonical SMILES for 3-fluoro-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene is Fc1nnc(C(F)(F)F)[n-]1.
What is the InChIKey of 3-fluoro-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene?
The InChIKey is CBSNDKIHBLVWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F4N3/c4-2-8-1(9-10-2)3(5,6)7/q-1.
What are the key properties of 3-fluoro-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene?
3-fluoro-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene has a molecular weight of 154.05 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene is sourced from PubChem (CID 58361887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).