(Z)-4-(4-fluorophenyl)-N-methylhept-3-en-2-imine

C14H18FN — CID 123174116

IUPAC(Z)-4-(4-fluorophenyl)-N-methylhept-3-en-2-imine
SMILESCCC/C(=C/C(C)=N/C)c1ccc(F)cc1
InChIInChI=1S/C14H18FN/c1-4-5-13(10-11(2)16-3)12-6-8-14(15)9-7-12/h6-10H,4-5H2,1-3H3/b13-10-,16-11+
InChIKeySCNNIWITLRIJOQ-OBHNZGETSA-N
MW219.30 g/mol
LogP4.10
Rot. Bonds4

About (Z)-4-(4-fluorophenyl)-N-methylhept-3-en-2-imine

(Z)-4-(4-fluorophenyl)-N-methylhept-3-en-2-imine (PubChem CID 123174116) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is (Z)-4-(4-fluorophenyl)-N-methylhept-3-en-2-imine.

Molecular Properties

Compound Name(Z)-4-(4-fluorophenyl)-N-methylhept-3-en-2-imine
PubChem CID123174116
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name(Z)-4-(4-fluorophenyl)-N-methylhept-3-en-2-imine
SMILESCCC/C(=C/C(C)=N/C)c1ccc(F)cc1
InChIInChI=1S/C14H18FN/c1-4-5-13(10-11(2)16-3)12-6-8-14(15)9-7-12/h6-10H,4-5H2,1-3H3/b13-10-,16-11+
InChIKeySCNNIWITLRIJOQ-OBHNZGETSA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 54.10
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

1-(4-fluorophenyl)-N-methylpropan-1-imine
CID 142869606
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(E)-3-(4-aminophenyl)hex-2-enoic acid
CID 112721870
(E)-3-(4-propylphenyl)hex-2-enoic acid
CID 93185097
2-ethenyl-1-(4-fluorophenyl)-N,3-dimethylbut-2-en-1-imine
CID 143488506
(E)-4-(4-fluorophenyl)hex-4-en-3-one
CID 154714595
(E)-1-(4-fluorophenyl)pent-2-en-1-one
CID 19551234
ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene
CID 142869478
(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide;heptane
CID 144683991
(1S,8R)-N-[1-(4-fluorophenyl)butylideneamino]bicyclo[6.1.0]nonane-9-carboxamide
CID 129439707
[3-(4-fluorophenyl)-3-oxoprop-1-enyl]-tripropylazanium
CID 2780526

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-fluorophenyl)-N-methylhept-3-en-2-imine?
The IUPAC name of (Z)-4-(4-fluorophenyl)-N-methylhept-3-en-2-imine (CID 123174116) is (Z)-4-(4-fluorophenyl)-N-methylhept-3-en-2-imine.
What is the SMILES notation for (Z)-4-(4-fluorophenyl)-N-methylhept-3-en-2-imine?
The canonical SMILES for (Z)-4-(4-fluorophenyl)-N-methylhept-3-en-2-imine is CCC/C(=C/C(C)=N/C)c1ccc(F)cc1.
What is the InChIKey of (Z)-4-(4-fluorophenyl)-N-methylhept-3-en-2-imine?
The InChIKey is SCNNIWITLRIJOQ-OBHNZGETSA-N. The full InChI is InChI=1S/C14H18FN/c1-4-5-13(10-11(2)16-3)12-6-8-14(15)9-7-12/h6-10H,4-5H2,1-3H3/b13-10-,16-11+.
What are the key properties of (Z)-4-(4-fluorophenyl)-N-methylhept-3-en-2-imine?
(Z)-4-(4-fluorophenyl)-N-methylhept-3-en-2-imine has a molecular weight of 219.30 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-fluorophenyl)-N-methylhept-3-en-2-imine is sourced from PubChem (CID 123174116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).