3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine

C10H18FN — CID 171815544

IUPAC3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine
SMILESCCC/C=C\N=C(/C)C(F)CC
InChIInChI=1S/C10H18FN/c1-4-6-7-8-12-9(3)10(11)5-2/h7-8,10H,4-6H2,1-3H3/b8-7-,12-9+
InChIKeyGMKLMDYXMIQRBH-HVTAIUIQSA-N
MW171.26 g/mol
LogP3.51
Rot. Bonds5

About 3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine

3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine (PubChem CID 171815544) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine.

Molecular Properties

Compound Name3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine
PubChem CID171815544
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine
SMILESCCC/C=C\N=C(/C)C(F)CC
InChIInChI=1S/C10H18FN/c1-4-6-7-8-12-9(3)10(11)5-2/h7-8,10H,4-6H2,1-3H3/b8-7-,12-9+
InChIKeyGMKLMDYXMIQRBH-HVTAIUIQSA-N
XLogP3.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-2-methyl-3,4-dihydropyridine
CID 89117465
N-ethenyl-6,6,6-trifluorohex-1-en-3-imine
CID 134549610
N-[(E)-2-chloro-2-(methylideneamino)ethenyl]-2-fluorohex-5-en-3-imine
CID 139454023
5-Fluoro-2-methyl-3,4-dihydropyridine
CID 143745504
Ethane;2-(trifluoromethyl)-3,4-dihydropyridine
CID 144625238
ethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine
CID 144801043
ethane;6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine
CID 144801050
ethane;5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
CID 145149545
4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine
CID 146342859
2-ethyl-4-fluoro-3H-pyrrole
CID 146392883
2-(Fluoromethyl)-3,4-dihydropyridine
CID 166907541
N-[(Z)-3,4-dimethylpent-1-enyl]-1-fluoropropan-2-imine
CID 167170105

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine?
The IUPAC name of 3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine (CID 171815544) is 3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine.
What is the SMILES notation for 3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine?
The canonical SMILES for 3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine is CCC/C=C\N=C(/C)C(F)CC.
What is the InChIKey of 3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine?
The InChIKey is GMKLMDYXMIQRBH-HVTAIUIQSA-N. The full InChI is InChI=1S/C10H18FN/c1-4-6-7-8-12-9(3)10(11)5-2/h7-8,10H,4-6H2,1-3H3/b8-7-,12-9+.
What are the key properties of 3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine?
3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine has a molecular weight of 171.26 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine is sourced from PubChem (CID 171815544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).