N,N,N',N'-tetrakis[[1-(2,2,3,3-tetrafluoropropyl)triazol-4-yl]methyl]ethane-1,2-diamine

C26H28F16N14 — CID 102293265

IUPACN,N,N',N'-tetrakis[[1-(2,2,3,3-tetrafluoropropyl)triazol-4-yl]methyl]ethane-1,2-diamine
SMILESFC(F)C(F)(F)Cn1cc(CN(CCN(Cc2cn(CC(F)(F)C(F)F)nn2)Cc2cn(CC(F)(F)C(F)F)nn2)Cc2cn(CC(F)(F)C(F)F)nn2)nn1
InChIInChI=1S/C26H28F16N14/c27-19(28)23(35,36)11-53-7-15(43-47-53)3-51(4-16-8-54(48-44-16)12-24(37,38)20(29)30)1-2-52(5-17-9-55(49-45-17)13-25(39,40)21(31)32)6-18-10-56(50-46-18)14-26(41,42)22(33)34/h7-10,19-22H,1-6,11-14H2
InChIKeyAXKIKXQOPZRETR-UHFFFAOYSA-N
MW840.58 g/mol
LogP4.36
Rot. Bonds23

About N,N,N',N'-tetrakis[[1-(2,2,3,3-tetrafluoropropyl)triazol-4-yl]methyl]ethane-1,2-diamine

N,N,N',N'-tetrakis[[1-(2,2,3,3-tetrafluoropropyl)triazol-4-yl]methyl]ethane-1,2-diamine (PubChem CID 102293265) has the molecular formula C26H28F16N14 and a molecular weight of 840.58 g/mol. Its IUPAC name is N,N,N',N'-tetrakis[[1-(2,2,3,3-tetrafluoropropyl)triazol-4-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis[[1-(2,2,3,3-tetrafluoropropyl)triazol-4-yl]methyl]ethane-1,2-diamine
PubChem CID102293265
Molecular FormulaC26H28F16N14
Molecular Weight840.58 g/mol
Exact Mass840.24
IUPAC NameN,N,N',N'-tetrakis[[1-(2,2,3,3-tetrafluoropropyl)triazol-4-yl]methyl]ethane-1,2-diamine
SMILESFC(F)C(F)(F)Cn1cc(CN(CCN(Cc2cn(CC(F)(F)C(F)F)nn2)Cc2cn(CC(F)(F)C(F)F)nn2)Cc2cn(CC(F)(F)C(F)F)nn2)nn1
InChIInChI=1S/C26H28F16N14/c27-19(28)23(35,36)11-53-7-15(43-47-53)3-51(4-16-8-54(48-44-16)12-24(37,38)20(29)30)1-2-52(5-17-9-55(49-45-17)13-25(39,40)21(31)32)6-18-10-56(50-46-18)14-26(41,42)22(33)34/h7-10,19-22H,1-6,11-14H2
InChIKeyAXKIKXQOPZRETR-UHFFFAOYSA-N
XLogP4.36
TPSA129.32 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds23
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.58
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N,N,N',N'-tetrakis[[1-(2,2,3,3-tetrafluoropropyl)triazol-4-yl]methyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(2-(4-(trifluoromethyl)-1H-1,2,3-triazol-1-yl)ethyl)amine
CID 101795034
4-(Trifluoromethyl)-1-[3-[4-(trifluoromethyl)triazol-1-yl]-2,2-bis[[4-(trifluoromethyl)triazol-1-yl]methyl]propyl]triazole
CID 101795036
N,N,N',N'-tetrakis[[1-(2,2,3,3,4,4,5,5-octafluoropentyl)triazol-4-yl]methyl]ethane-1,2-diamine
CID 139257286
1-(1,1-Dimethylethyl)-N,N-bis[[1-(1,1-dimethylethyl)-1H-1,2,3-triazol-4-yl]methyl]-1H-1,2,3-triazole-4-methanamine
CID 44517920
1-(1-butyltriazol-4-yl)-N,N-bis[(1-butyltriazol-4-yl)methyl]methanamine
CID 68944462
N,N,N',N'-tetrakis[(1-dodecyltriazol-4-yl)methyl]ethane-1,2-diamine
CID 102293261
N,N,N',N'-tetrakis[(1-octyltriazol-4-yl)methyl]ethane-1,2-diamine
CID 102293262
N,N,N',N'-tetrakis[(1-butyltriazol-4-yl)methyl]ethane-1,2-diamine
CID 102293263
N,N,N',N'-tetrakis[(1-prop-2-enyltriazol-4-yl)methyl]ethane-1,2-diamine
CID 102293264
1,4,5,6,9,12,13,14,19,20,21-Undecazapentacyclo[7.7.7.13,6.112,15.118,21]hexacosa-3(26),4,13,15(25),18(24),19-hexaene
CID 134974949
1,4,5,6,9,10,11,14,15,16,19,20-Dodecazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-3(24),4,8(23),9,13(22),14,18(21),19-octaene
CID 139051177
2-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-bis[2-[4-[(dimethylamino)methyl]triazol-1-yl]ethyl]ethanamine
CID 139251714

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis[[1-(2,2,3,3-tetrafluoropropyl)triazol-4-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N,N',N'-tetrakis[[1-(2,2,3,3-tetrafluoropropyl)triazol-4-yl]methyl]ethane-1,2-diamine (CID 102293265) is N,N,N',N'-tetrakis[[1-(2,2,3,3-tetrafluoropropyl)triazol-4-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N',N'-tetrakis[[1-(2,2,3,3-tetrafluoropropyl)triazol-4-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N',N'-tetrakis[[1-(2,2,3,3-tetrafluoropropyl)triazol-4-yl]methyl]ethane-1,2-diamine is FC(F)C(F)(F)Cn1cc(CN(CCN(Cc2cn(CC(F)(F)C(F)F)nn2)Cc2cn(CC(F)(F)C(F)F)nn2)Cc2cn(CC(F)(F)C(F)F)nn2)nn1.
What is the InChIKey of N,N,N',N'-tetrakis[[1-(2,2,3,3-tetrafluoropropyl)triazol-4-yl]methyl]ethane-1,2-diamine?
The InChIKey is AXKIKXQOPZRETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F16N14/c27-19(28)23(35,36)11-53-7-15(43-47-53)3-51(4-16-8-54(48-44-16)12-24(37,38)20(29)30)1-2-52(5-17-9-55(49-45-17)13-25(39,40)21(31)32)6-18-10-56(50-46-18)14-26(41,42)22(33)34/h7-10,19-22H,1-6,11-14H2.
What are the key properties of N,N,N',N'-tetrakis[[1-(2,2,3,3-tetrafluoropropyl)triazol-4-yl]methyl]ethane-1,2-diamine?
N,N,N',N'-tetrakis[[1-(2,2,3,3-tetrafluoropropyl)triazol-4-yl]methyl]ethane-1,2-diamine has a molecular weight of 840.58 g/mol, XLogP of 4.36, 23 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis[[1-(2,2,3,3-tetrafluoropropyl)triazol-4-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 102293265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).