N,N-dimethyl-3-[[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]amino]propan-1-amine oxide

C15H24F10N2O — CID 89292920

IUPACN,N-dimethyl-3-[[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]amino]propan-1-amine oxide
SMILESC[N+](C)([O-])CCCNCCCCC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H24F10N2O/c1-27(2,28)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
InChIKeyLXEOCDXAZDAJNM-UHFFFAOYSA-N
MW438.35 g/mol
LogP5.11
Rot. Bonds11

About N,N-dimethyl-3-[[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]amino]propan-1-amine oxide

N,N-dimethyl-3-[[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]amino]propan-1-amine oxide (PubChem CID 89292920) has the molecular formula C15H24F10N2O and a molecular weight of 438.35 g/mol. Its IUPAC name is N,N-dimethyl-3-[[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]amino]propan-1-amine oxide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]amino]propan-1-amine oxide
PubChem CID89292920
Molecular FormulaC15H24F10N2O
Molecular Weight438.35 g/mol
Exact Mass438.17
IUPAC NameN,N-dimethyl-3-[[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]amino]propan-1-amine oxide
SMILESC[N+](C)([O-])CCCNCCCCC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H24F10N2O/c1-27(2,28)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
InChIKeyLXEOCDXAZDAJNM-UHFFFAOYSA-N
XLogP5.11
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.35
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]amino]propan-1-amine oxide?
The IUPAC name of N,N-dimethyl-3-[[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]amino]propan-1-amine oxide (CID 89292920) is N,N-dimethyl-3-[[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]amino]propan-1-amine oxide.
What is the SMILES notation for N,N-dimethyl-3-[[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]amino]propan-1-amine oxide?
The canonical SMILES for N,N-dimethyl-3-[[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]amino]propan-1-amine oxide is C[N+](C)([O-])CCCNCCCCC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-3-[[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]amino]propan-1-amine oxide?
The InChIKey is LXEOCDXAZDAJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F10N2O/c1-27(2,28)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-3-[[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]amino]propan-1-amine oxide?
N,N-dimethyl-3-[[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]amino]propan-1-amine oxide has a molecular weight of 438.35 g/mol, XLogP of 5.11, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[7,8,8,8-tetrafluoro-5,7-bis(trifluoromethyl)octyl]amino]propan-1-amine oxide is sourced from PubChem (CID 89292920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).