4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine

C10H16FN — CID 146342859

IUPAC4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine
SMILESC=C/C(=N\C=C/CCC)C(C)F
InChIInChI=1S/C10H16FN/c1-4-6-7-8-12-10(5-2)9(3)11/h5,7-9H,2,4,6H2,1,3H3/b8-7-,12-10+
InChIKeyKODMGSNVNLQENO-QOUMFGDESA-N
MW169.24 g/mol
LogP3.29
Rot. Bonds5

About 4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine

4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine (PubChem CID 146342859) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine.

Molecular Properties

Compound Name4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine
PubChem CID146342859
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine
SMILESC=C/C(=N\C=C/CCC)C(C)F
InChIInChI=1S/C10H16FN/c1-4-6-7-8-12-10(5-2)9(3)11/h5,7-9H,2,4,6H2,1,3H3/b8-7-,12-10+
InChIKeyKODMGSNVNLQENO-QOUMFGDESA-N
XLogP3.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 53.29
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-[(E)-2-fluoroprop-1-enyl]but-3-en-2-imine
CID 89864903
N-ethenyl-6,6,6-trifluorohex-1-en-3-imine
CID 134549610
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;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
CID 145149506
ethane;5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
CID 145149545
2-(Fluoromethyl)-3,4-dihydropyridine
CID 166907541
N-[(E)-3-fluoro-2-methylbut-1-enyl]but-3-en-2-imine
CID 166991045
N-[(Z)-3,4-dimethylpent-1-enyl]-1-fluoropropan-2-imine
CID 167170105
N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine
CID 170144613

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine?
The IUPAC name of 4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine (CID 146342859) is 4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine.
What is the SMILES notation for 4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine?
The canonical SMILES for 4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine is C=C/C(=N\C=C/CCC)C(C)F.
What is the InChIKey of 4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine?
The InChIKey is KODMGSNVNLQENO-QOUMFGDESA-N. The full InChI is InChI=1S/C10H16FN/c1-4-6-7-8-12-10(5-2)9(3)11/h5,7-9H,2,4,6H2,1,3H3/b8-7-,12-10+.
What are the key properties of 4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine?
4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine has a molecular weight of 169.24 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine is sourced from PubChem (CID 146342859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).