N',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine

C13H20F10N2 — CID 89380839

IUPACN',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine
SMILESCN(C)CCCNCCC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H20F10N2/c1-25(2)7-3-5-24-6-4-9(11(15,16)17)8-10(14,12(18,19)20)13(21,22)23/h9,24H,3-8H2,1-2H3
InChIKeyUPZSWEUXMZANNQ-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.32
Rot. Bonds9

About N',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine

N',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine (PubChem CID 89380839) has the molecular formula C13H20F10N2 and a molecular weight of 394.30 g/mol. Its IUPAC name is N',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine
PubChem CID89380839
Molecular FormulaC13H20F10N2
Molecular Weight394.30 g/mol
Exact Mass394.15
IUPAC NameN',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine
SMILESCN(C)CCCNCCC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H20F10N2/c1-25(2)7-3-5-24-6-4-9(11(15,16)17)8-10(14,12(18,19)20)13(21,22)23/h9,24H,3-8H2,1-2H3
InChIKeyUPZSWEUXMZANNQ-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine (CID 89380839) is N',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine is CN(C)CCCNCCC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine?
The InChIKey is UPZSWEUXMZANNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F10N2/c1-25(2)7-3-5-24-6-4-9(11(15,16)17)8-10(14,12(18,19)20)13(21,22)23/h9,24H,3-8H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine?
N',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine has a molecular weight of 394.30 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[5,6,6,6-tetrafluoro-3,5-bis(trifluoromethyl)hexyl]propane-1,3-diamine is sourced from PubChem (CID 89380839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).