N-benzyl-3-fluoropentan-2-imine

C12H16FN — CID 123918067

IUPACN-benzyl-3-fluoropentan-2-imine
SMILESCCC(F)/C(C)=N/Cc1ccccc1
InChIInChI=1S/C12H16FN/c1-3-12(13)10(2)14-9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3/b14-10+
InChIKeyNJPVXDHTIIDHRQ-GXDHUFHOSA-N
MW193.27 g/mol
LogP3.40
Rot. Bonds4

About N-benzyl-3-fluoropentan-2-imine

N-benzyl-3-fluoropentan-2-imine (PubChem CID 123918067) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is N-benzyl-3-fluoropentan-2-imine.

Molecular Properties

Compound NameN-benzyl-3-fluoropentan-2-imine
PubChem CID123918067
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC NameN-benzyl-3-fluoropentan-2-imine
SMILESCCC(F)/C(C)=N/Cc1ccccc1
InChIInChI=1S/C12H16FN/c1-3-12(13)10(2)14-9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3/b14-10+
InChIKeyNJPVXDHTIIDHRQ-GXDHUFHOSA-N
XLogP3.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 53.40
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-benzyl-3-fluoropentan-2-imine?
The IUPAC name of N-benzyl-3-fluoropentan-2-imine (CID 123918067) is N-benzyl-3-fluoropentan-2-imine.
What is the SMILES notation for N-benzyl-3-fluoropentan-2-imine?
The canonical SMILES for N-benzyl-3-fluoropentan-2-imine is CCC(F)/C(C)=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-3-fluoropentan-2-imine?
The InChIKey is NJPVXDHTIIDHRQ-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H16FN/c1-3-12(13)10(2)14-9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3/b14-10+.
What are the key properties of N-benzyl-3-fluoropentan-2-imine?
N-benzyl-3-fluoropentan-2-imine has a molecular weight of 193.27 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-fluoropentan-2-imine is sourced from PubChem (CID 123918067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).