deuterium monohydride;heptan-1-amine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane

C16H24F15NO — CID 161261958

IUPACdeuterium monohydride;heptan-1-amine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane
SMILESCCCCCCCN.COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[H][2H]
InChIInChI=1S/C9H5F15O.C7H17N.H2/c1-25-2-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24;1-2-3-4-5-6-7-8;/h2H2,1H3;2-8H2,1H3;1H/i;;1+1
InChIKeyVCRACVOLMZCPDZ-FCHARDOESA-N
MW532.35 g/mol
LogP7.17
Rot. Bonds12

About deuterium monohydride;heptan-1-amine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane

deuterium monohydride;heptan-1-amine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane (PubChem CID 161261958) has the molecular formula C16H24F15NO and a molecular weight of 532.35 g/mol. Its IUPAC name is deuterium monohydride;heptan-1-amine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane.

Molecular Properties

Compound Namedeuterium monohydride;heptan-1-amine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane
PubChem CID161261958
Molecular FormulaC16H24F15NO
Molecular Weight532.35 g/mol
Exact Mass532.17
IUPAC Namedeuterium monohydride;heptan-1-amine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane
SMILESCCCCCCCN.COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[H][2H]
InChIInChI=1S/C9H5F15O.C7H17N.H2/c1-25-2-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24;1-2-3-4-5-6-7-8;/h2H2,1H3;2-8H2,1H3;1H/i;;1+1
InChIKeyVCRACVOLMZCPDZ-FCHARDOESA-N
XLogP7.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.35
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;heptan-1-amine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane?
The IUPAC name of deuterium monohydride;heptan-1-amine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane (CID 161261958) is deuterium monohydride;heptan-1-amine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane.
What is the SMILES notation for deuterium monohydride;heptan-1-amine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane?
The canonical SMILES for deuterium monohydride;heptan-1-amine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane is CCCCCCCN.COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[H][2H].
What is the InChIKey of deuterium monohydride;heptan-1-amine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane?
The InChIKey is VCRACVOLMZCPDZ-FCHARDOESA-N. The full InChI is InChI=1S/C9H5F15O.C7H17N.H2/c1-25-2-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24;1-2-3-4-5-6-7-8;/h2H2,1H3;2-8H2,1H3;1H/i;;1+1.
What are the key properties of deuterium monohydride;heptan-1-amine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane?
deuterium monohydride;heptan-1-amine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane has a molecular weight of 532.35 g/mol, XLogP of 7.17, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;heptan-1-amine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane is sourced from PubChem (CID 161261958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).