1-(3-fluorophenyl)pentan-1-imine

C11H14FN — CID 125478638

IUPAC1-(3-fluorophenyl)pentan-1-imine
SMILES[H]/N=C(\CCCC)c1cccc(F)c1
InChIInChI=1S/C11H14FN/c1-2-3-7-11(13)9-5-4-6-10(12)8-9/h4-6,8,13H,2-3,7H2,1H3/b13-11+
InChIKeyUARUUHHAYPAVEJ-ACCUITESSA-N
MW179.24 g/mol
LogP3.38
Rot. Bonds4

About 1-(3-fluorophenyl)pentan-1-imine

1-(3-fluorophenyl)pentan-1-imine (PubChem CID 125478638) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-(3-fluorophenyl)pentan-1-imine.

Molecular Properties

Compound Name1-(3-fluorophenyl)pentan-1-imine
PubChem CID125478638
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name1-(3-fluorophenyl)pentan-1-imine
SMILES[H]/N=C(\CCCC)c1cccc(F)c1
InChIInChI=1S/C11H14FN/c1-2-3-7-11(13)9-5-4-6-10(12)8-9/h4-6,8,13H,2-3,7H2,1H3/b13-11+
InChIKeyUARUUHHAYPAVEJ-ACCUITESSA-N
XLogP3.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.38
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

1-pyridin-3-ylpentan-1-imine
CID 19790330
2-(3-fluorophenyl)hept-1-en-3-one
CID 58899459
3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide
CID 19685646
heptadecyl 3-fluorobenzoate
CID 588123
3-fluoro-N,N-di(nonyl)benzamide
CID 533098
3-fluoro-N-octadecylbenzamide
CID 91711883
N'-butyl-3-fluorobenzohydrazide
CID 118418454
5-(3-fluorophenyl)pentan-2-imine
CID 157154462
1-(3-fluorophenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796075
(Z)-2-ethyl-1-(3-fluorophenyl)but-2-en-1-one
CID 103447329
1-(1,1-dichlorobut-1-en-2-yl)-3-fluorobenzene
CID 19885742
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)pentan-1-imine?
The IUPAC name of 1-(3-fluorophenyl)pentan-1-imine (CID 125478638) is 1-(3-fluorophenyl)pentan-1-imine.
What is the SMILES notation for 1-(3-fluorophenyl)pentan-1-imine?
The canonical SMILES for 1-(3-fluorophenyl)pentan-1-imine is [H]/N=C(\CCCC)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)pentan-1-imine?
The InChIKey is UARUUHHAYPAVEJ-ACCUITESSA-N. The full InChI is InChI=1S/C11H14FN/c1-2-3-7-11(13)9-5-4-6-10(12)8-9/h4-6,8,13H,2-3,7H2,1H3/b13-11+.
What are the key properties of 1-(3-fluorophenyl)pentan-1-imine?
1-(3-fluorophenyl)pentan-1-imine has a molecular weight of 179.24 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)pentan-1-imine is sourced from PubChem (CID 125478638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).