(Z,3E)-3-[(Z)-4-chloro-3-fluoropent-3-en-2-ylidene]-N-[(Z)-1-chloropent-1-enyl]oct-4-en-2-imine

C18H26Cl2FN — CID 174028338

IUPAC(Z,3E)-3-[(Z)-4-chloro-3-fluoropent-3-en-2-ylidene]-N-[(Z)-1-chloropent-1-enyl]oct-4-en-2-imine
SMILESCCC/C=C\C(C(C)=N/C(Cl)=C/CCC)=C(C)/C(F)=C(\C)Cl
InChIInChI=1S/C18H26Cl2FN/c1-6-8-10-11-16(13(3)18(21)14(4)19)15(5)22-17(20)12-9-7-2/h10-12H,6-9H2,1-5H3/b11-10-,16-13+,17-12+,18-14-,22-15?
InChIKeyAVBIQOMFKOLABR-NLKMMWPXSA-N
MW346.32 g/mol
LogP7.44
Rot. Bonds8

About (Z,3E)-3-[(Z)-4-chloro-3-fluoropent-3-en-2-ylidene]-N-[(Z)-1-chloropent-1-enyl]oct-4-en-2-imine

(Z,3E)-3-[(Z)-4-chloro-3-fluoropent-3-en-2-ylidene]-N-[(Z)-1-chloropent-1-enyl]oct-4-en-2-imine (PubChem CID 174028338) has the molecular formula C18H26Cl2FN and a molecular weight of 346.32 g/mol. Its IUPAC name is (Z,3E)-3-[(Z)-4-chloro-3-fluoropent-3-en-2-ylidene]-N-[(Z)-1-chloropent-1-enyl]oct-4-en-2-imine.

Molecular Properties

Compound Name(Z,3E)-3-[(Z)-4-chloro-3-fluoropent-3-en-2-ylidene]-N-[(Z)-1-chloropent-1-enyl]oct-4-en-2-imine
PubChem CID174028338
Molecular FormulaC18H26Cl2FN
Molecular Weight346.32 g/mol
Exact Mass345.14
IUPAC Name(Z,3E)-3-[(Z)-4-chloro-3-fluoropent-3-en-2-ylidene]-N-[(Z)-1-chloropent-1-enyl]oct-4-en-2-imine
SMILESCCC/C=C\C(C(C)=N/C(Cl)=C/CCC)=C(C)/C(F)=C(\C)Cl
InChIInChI=1S/C18H26Cl2FN/c1-6-8-10-11-16(13(3)18(21)14(4)19)15(5)22-17(20)12-9-7-2/h10-12H,6-9H2,1-5H3/b11-10-,16-13+,17-12+,18-14-,22-15?
InChIKeyAVBIQOMFKOLABR-NLKMMWPXSA-N
XLogP7.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.32
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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(Z)-1-fluoropent-1-en-1-ol
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2-methylhex-2-enoyl isocyanate
CID 174509683
3-(trifluoromethyl)octa-2,4-diene
CID 123687323
1,1,1-trifluoro-2-methylhex-2-ene
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1,3-dichlorohepta-1,3-diene
CID 154209919
N-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine
CID 145143647
(4E,7E)-undeca-4,7-dien-6-one
CID 23366329
1-bromo-1-chloropent-1-ene
CID 535956
(E)-hex-2-enoic acid
CID 5282707

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-[(Z)-4-chloro-3-fluoropent-3-en-2-ylidene]-N-[(Z)-1-chloropent-1-enyl]oct-4-en-2-imine?
The IUPAC name of (Z,3E)-3-[(Z)-4-chloro-3-fluoropent-3-en-2-ylidene]-N-[(Z)-1-chloropent-1-enyl]oct-4-en-2-imine (CID 174028338) is (Z,3E)-3-[(Z)-4-chloro-3-fluoropent-3-en-2-ylidene]-N-[(Z)-1-chloropent-1-enyl]oct-4-en-2-imine.
What is the SMILES notation for (Z,3E)-3-[(Z)-4-chloro-3-fluoropent-3-en-2-ylidene]-N-[(Z)-1-chloropent-1-enyl]oct-4-en-2-imine?
The canonical SMILES for (Z,3E)-3-[(Z)-4-chloro-3-fluoropent-3-en-2-ylidene]-N-[(Z)-1-chloropent-1-enyl]oct-4-en-2-imine is CCC/C=C\C(C(C)=N/C(Cl)=C/CCC)=C(C)/C(F)=C(\C)Cl.
What is the InChIKey of (Z,3E)-3-[(Z)-4-chloro-3-fluoropent-3-en-2-ylidene]-N-[(Z)-1-chloropent-1-enyl]oct-4-en-2-imine?
The InChIKey is AVBIQOMFKOLABR-NLKMMWPXSA-N. The full InChI is InChI=1S/C18H26Cl2FN/c1-6-8-10-11-16(13(3)18(21)14(4)19)15(5)22-17(20)12-9-7-2/h10-12H,6-9H2,1-5H3/b11-10-,16-13+,17-12+,18-14-,22-15?.
What are the key properties of (Z,3E)-3-[(Z)-4-chloro-3-fluoropent-3-en-2-ylidene]-N-[(Z)-1-chloropent-1-enyl]oct-4-en-2-imine?
(Z,3E)-3-[(Z)-4-chloro-3-fluoropent-3-en-2-ylidene]-N-[(Z)-1-chloropent-1-enyl]oct-4-en-2-imine has a molecular weight of 346.32 g/mol, XLogP of 7.44, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-[(Z)-4-chloro-3-fluoropent-3-en-2-ylidene]-N-[(Z)-1-chloropent-1-enyl]oct-4-en-2-imine is sourced from PubChem (CID 174028338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).