N-fluoro-4-methyloctan-3-imine

C9H18FN — CID 123306478

IUPACN-fluoro-4-methyloctan-3-imine
SMILESCCCCC(C)C(CC)=NF
InChIInChI=1S/C9H18FN/c1-4-6-7-8(3)9(5-2)11-10/h8H,4-7H2,1-3H3
InChIKeyLASIKASTHRDEPG-UHFFFAOYSA-N
MW159.25 g/mol
LogP3.55
Rot. Bonds5

About N-fluoro-4-methyloctan-3-imine

N-fluoro-4-methyloctan-3-imine (PubChem CID 123306478) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is N-fluoro-4-methyloctan-3-imine.

Molecular Properties

Compound NameN-fluoro-4-methyloctan-3-imine
PubChem CID123306478
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC NameN-fluoro-4-methyloctan-3-imine
SMILESCCCCC(C)C(CC)=NF
InChIInChI=1S/C9H18FN/c1-4-6-7-8(3)9(5-2)11-10/h8H,4-7H2,1-3H3
InChIKeyLASIKASTHRDEPG-UHFFFAOYSA-N
XLogP3.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-4-methyloctan-3-imine?
The IUPAC name of N-fluoro-4-methyloctan-3-imine (CID 123306478) is N-fluoro-4-methyloctan-3-imine.
What is the SMILES notation for N-fluoro-4-methyloctan-3-imine?
The canonical SMILES for N-fluoro-4-methyloctan-3-imine is CCCCC(C)C(CC)=NF.
What is the InChIKey of N-fluoro-4-methyloctan-3-imine?
The InChIKey is LASIKASTHRDEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-4-6-7-8(3)9(5-2)11-10/h8H,4-7H2,1-3H3.
What are the key properties of N-fluoro-4-methyloctan-3-imine?
N-fluoro-4-methyloctan-3-imine has a molecular weight of 159.25 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-4-methyloctan-3-imine is sourced from PubChem (CID 123306478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).