N",N"-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)-N'-(trifluoromethyl)methanetriamine

C6H9F8N3 — CID 167208038

IUPACN",N"-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)-N'-(trifluoromethyl)methanetriamine
SMILESCN(C)C(NC(F)(F)F)NC(F)(F)C(F)(F)F
InChIInChI=1S/C6H9F8N3/c1-17(2)3(16-6(12,13)14)15-5(10,11)4(7,8)9/h3,15-16H,1-2H3
InChIKeyOXCDBALARVLETB-UHFFFAOYSA-N
MW275.14 g/mol
LogP1.69
Rot. Bonds4

About N",N"-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)-N'-(trifluoromethyl)methanetriamine

N",N"-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)-N'-(trifluoromethyl)methanetriamine (PubChem CID 167208038) has the molecular formula C6H9F8N3 and a molecular weight of 275.14 g/mol. Its IUPAC name is N",N"-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)-N'-(trifluoromethyl)methanetriamine.

Molecular Properties

Compound NameN",N"-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)-N'-(trifluoromethyl)methanetriamine
PubChem CID167208038
Molecular FormulaC6H9F8N3
Molecular Weight275.14 g/mol
Exact Mass275.07
IUPAC NameN",N"-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)-N'-(trifluoromethyl)methanetriamine
SMILESCN(C)C(NC(F)(F)F)NC(F)(F)C(F)(F)F
InChIInChI=1S/C6H9F8N3/c1-17(2)3(16-6(12,13)14)15-5(10,11)4(7,8)9/h3,15-16H,1-2H3
InChIKeyOXCDBALARVLETB-UHFFFAOYSA-N
XLogP1.69
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N",N"-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)-N'-(trifluoromethyl)methanetriamine?
The IUPAC name of N",N"-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)-N'-(trifluoromethyl)methanetriamine (CID 167208038) is N",N"-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)-N'-(trifluoromethyl)methanetriamine.
What is the SMILES notation for N",N"-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)-N'-(trifluoromethyl)methanetriamine?
The canonical SMILES for N",N"-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)-N'-(trifluoromethyl)methanetriamine is CN(C)C(NC(F)(F)F)NC(F)(F)C(F)(F)F.
What is the InChIKey of N",N"-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)-N'-(trifluoromethyl)methanetriamine?
The InChIKey is OXCDBALARVLETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F8N3/c1-17(2)3(16-6(12,13)14)15-5(10,11)4(7,8)9/h3,15-16H,1-2H3.
What are the key properties of N",N"-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)-N'-(trifluoromethyl)methanetriamine?
N",N"-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)-N'-(trifluoromethyl)methanetriamine has a molecular weight of 275.14 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N",N"-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)-N'-(trifluoromethyl)methanetriamine is sourced from PubChem (CID 167208038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).