5-(3-fluorophenyl)pentan-2-imine

C11H14FN — CID 157154462

IUPAC5-(3-fluorophenyl)pentan-2-imine
SMILES[H]/N=C(\C)CCCc1cccc([18F])c1
InChIInChI=1S/C11H14FN/c1-9(13)4-2-5-10-6-3-7-11(12)8-10/h3,6-8,13H,2,4-5H2,1H3/b13-9+/i12-1
InChIKeyLKVDHVJXBZNVLQ-KKGQHNDUSA-N
MW178.24 g/mol
LogP3.19
Rot. Bonds4

About 5-(3-fluorophenyl)pentan-2-imine

5-(3-fluorophenyl)pentan-2-imine (PubChem CID 157154462) has the molecular formula C11H14FN and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-(3-fluorophenyl)pentan-2-imine.

Molecular Properties

Compound Name5-(3-fluorophenyl)pentan-2-imine
PubChem CID157154462
Molecular FormulaC11H14FN
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name5-(3-fluorophenyl)pentan-2-imine
SMILES[H]/N=C(\C)CCCc1cccc([18F])c1
InChIInChI=1S/C11H14FN/c1-9(13)4-2-5-10-6-3-7-11(12)8-10/h3,6-8,13H,2,4-5H2,1H3/b13-9+/i12-1
InChIKeyLKVDHVJXBZNVLQ-KKGQHNDUSA-N
XLogP3.19
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(3-fluorophenyl)hexan-3-one
CID 64521140
4-(3-fluorophenyl)butanoyloxidanium
CID 160822973
[3-(3-iminobutyl)phenyl]methanamine
CID 157053847
6-(3-fluorophenyl)hexan-3-ol
CID 64515590
acetylene;1-butyl-3-fluorobenzene
CID 142913636
acetic acid;1-fluoro-3-pentylbenzene;guanidine
CID 174775989
1-[4-[(3-fluorophenyl)methyl]phenyl]ethanimine
CID 123572426
6-(3-fluorophenyl)hexan-1-amine
CID 95437731
methyl 2-amino-5-(3-fluorophenyl)pentanoate
CID 116851642
N-[3-(3-fluorophenyl)propoxy]methanamine
CID 117126889
2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol
CID 110008924
6-(3-fluorophenyl)hexyl-hydroxy-dimethoxysilane
CID 90174154

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)pentan-2-imine?
The IUPAC name of 5-(3-fluorophenyl)pentan-2-imine (CID 157154462) is 5-(3-fluorophenyl)pentan-2-imine.
What is the SMILES notation for 5-(3-fluorophenyl)pentan-2-imine?
The canonical SMILES for 5-(3-fluorophenyl)pentan-2-imine is [H]/N=C(\C)CCCc1cccc([18F])c1.
What is the InChIKey of 5-(3-fluorophenyl)pentan-2-imine?
The InChIKey is LKVDHVJXBZNVLQ-KKGQHNDUSA-N. The full InChI is InChI=1S/C11H14FN/c1-9(13)4-2-5-10-6-3-7-11(12)8-10/h3,6-8,13H,2,4-5H2,1H3/b13-9+/i12-1.
What are the key properties of 5-(3-fluorophenyl)pentan-2-imine?
5-(3-fluorophenyl)pentan-2-imine has a molecular weight of 178.24 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)pentan-2-imine is sourced from PubChem (CID 157154462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).