1,1,1,2,2-pentafluoro-N-methylpentan-3-imine

C6H8F5N — CID 91461386

IUPAC1,1,1,2,2-pentafluoro-N-methylpentan-3-imine
SMILESCC/C(=N\C)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5N/c1-3-4(12-2)5(7,8)6(9,10)11/h3H2,1-2H3/b12-4+
InChIKeyUBXNPANKIOWDNF-UUILKARUSA-N
MW189.13 g/mol
LogP2.66
Rot. Bonds2

About 1,1,1,2,2-pentafluoro-N-methylpentan-3-imine

1,1,1,2,2-pentafluoro-N-methylpentan-3-imine (PubChem CID 91461386) has the molecular formula C6H8F5N and a molecular weight of 189.13 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-N-methylpentan-3-imine.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-N-methylpentan-3-imine
PubChem CID91461386
Molecular FormulaC6H8F5N
Molecular Weight189.13 g/mol
Exact Mass189.06
IUPAC Name1,1,1,2,2-pentafluoro-N-methylpentan-3-imine
SMILESCC/C(=N\C)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5N/c1-3-4(12-2)5(7,8)6(9,10)11/h3H2,1-2H3/b12-4+
InChIKeyUBXNPANKIOWDNF-UUILKARUSA-N
XLogP2.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.13
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-N-methylpentan-3-imine?
The IUPAC name of 1,1,1,2,2-pentafluoro-N-methylpentan-3-imine (CID 91461386) is 1,1,1,2,2-pentafluoro-N-methylpentan-3-imine.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-N-methylpentan-3-imine?
The canonical SMILES for 1,1,1,2,2-pentafluoro-N-methylpentan-3-imine is CC/C(=N\C)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-N-methylpentan-3-imine?
The InChIKey is UBXNPANKIOWDNF-UUILKARUSA-N. The full InChI is InChI=1S/C6H8F5N/c1-3-4(12-2)5(7,8)6(9,10)11/h3H2,1-2H3/b12-4+.
What are the key properties of 1,1,1,2,2-pentafluoro-N-methylpentan-3-imine?
1,1,1,2,2-pentafluoro-N-methylpentan-3-imine has a molecular weight of 189.13 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-N-methylpentan-3-imine is sourced from PubChem (CID 91461386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).