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

C4F6LiN3 — CID 153493310

IUPAClithium 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
SMILESFC(F)(F)c1nnc(C(F)(F)F)[n-]1.[Li+]
InChIInChI=1S/C4F6N3.Li/c5-3(6,7)1-11-2(13-12-1)4(8,9)10;/q-1;+1
InChIKeyFLTMGPRHMXBDQP-UHFFFAOYSA-N
MW210.99 g/mol
LogP-1.52
Rot. Bonds

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

lithium 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene (PubChem CID 153493310) has the molecular formula C4F6LiN3 and a molecular weight of 210.99 g/mol. Its IUPAC name is lithium 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene.

Molecular Properties

Compound Namelithium 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
PubChem CID153493310
Molecular FormulaC4F6LiN3
Molecular Weight210.99 g/mol
Exact Mass211.02
IUPAC Namelithium 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
SMILESFC(F)(F)c1nnc(C(F)(F)F)[n-]1.[Li+]
InChIInChI=1S/C4F6N3.Li/c5-3(6,7)1-11-2(13-12-1)4(8,9)10;/q-1;+1
InChIKeyFLTMGPRHMXBDQP-UHFFFAOYSA-N
XLogP-1.52
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.99
LogP ≤ 5-1.52
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
4-Methyl-3,5-bis(trifluoromethyl)-1,2,4-triazole
CID 21811613
3,5-bis(trifluoromethyl)-1H-1,2,4-triazole
CID 14688516
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-Methyl-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
CID 51397714
1-Methyl-3,5-bis(trifluoromethyl)-1,2,4-triazole
CID 57552004
3-Fluoro-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
CID 58361887
1-Iodo-3-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 143593337
1-Iodo-5-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 144505237
4-Iodo-3,5-bis(trifluoromethyl)-1,2,4-triazole
CID 146604419
4-Chloro-3,5-bis(trifluoromethyl)-1,2,4-triazole
CID 146620554

Frequently Asked Questions

What is the IUPAC name of lithium 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene?
The IUPAC name of lithium 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene (CID 153493310) is lithium 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene.
What is the SMILES notation for lithium 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene?
The canonical SMILES for lithium 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene is FC(F)(F)c1nnc(C(F)(F)F)[n-]1.[Li+].
What is the InChIKey of lithium 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene?
The InChIKey is FLTMGPRHMXBDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F6N3.Li/c5-3(6,7)1-11-2(13-12-1)4(8,9)10;/q-1;+1.
What are the key properties of lithium 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene?
lithium 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene has a molecular weight of 210.99 g/mol, XLogP of -1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene is sourced from PubChem (CID 153493310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).