N',N'-dimethyl-N-[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]propane-1,3-diamine

C15H24F10N2 — CID 89292987

IUPACN',N'-dimethyl-N-[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]propane-1,3-diamine
SMILESCN(C)CCCNCCCCC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H24F10N2/c1-27(2)9-5-8-26-7-4-3-6-11(13(17,18)19)10-12(16,14(20,21)22)15(23,24)25/h11,26H,3-10H2,1-2H3
InChIKeyYCADKTKXNAHHLV-UHFFFAOYSA-N
MW422.35 g/mol
LogP5.10
Rot. Bonds11

About N',N'-dimethyl-N-[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]propane-1,3-diamine

N',N'-dimethyl-N-[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]propane-1,3-diamine (PubChem CID 89292987) has the molecular formula C15H24F10N2 and a molecular weight of 422.35 g/mol. Its IUPAC name is N',N'-dimethyl-N-[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]propane-1,3-diamine
PubChem CID89292987
Molecular FormulaC15H24F10N2
Molecular Weight422.35 g/mol
Exact Mass422.18
IUPAC NameN',N'-dimethyl-N-[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]propane-1,3-diamine
SMILESCN(C)CCCNCCCCC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H24F10N2/c1-27(2)9-5-8-26-7-4-3-6-11(13(17,18)19)10-12(16,14(20,21)22)15(23,24)25/h11,26H,3-10H2,1-2H3
InChIKeyYCADKTKXNAHHLV-UHFFFAOYSA-N
XLogP5.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.35
LogP ≤ 55.10
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-[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]propane-1,3-diamine (CID 89292987) is N',N'-dimethyl-N-[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]propane-1,3-diamine is CN(C)CCCNCCCCC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N',N'-dimethyl-N-[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]propane-1,3-diamine?
The InChIKey is YCADKTKXNAHHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F10N2/c1-27(2)9-5-8-26-7-4-3-6-11(13(17,18)19)10-12(16,14(20,21)22)15(23,24)25/h11,26H,3-10H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]propane-1,3-diamine?
N',N'-dimethyl-N-[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]propane-1,3-diamine has a molecular weight of 422.35 g/mol, XLogP of 5.10, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]propane-1,3-diamine is sourced from PubChem (CID 89292987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).