(3Z,5E)-N-[(3E)-3-fluoro-5-methyl-2-methylidenehexa-3,5-dienyl]hepta-3,5-dien-2-imine

C15H20FN — CID 178135533

IUPAC(3Z,5E)-N-[(3E)-3-fluoro-5-methyl-2-methylidenehexa-3,5-dienyl]hepta-3,5-dien-2-imine
SMILESC=C(C)/C=C(/F)C(=C)C/N=C(C)/C=C\C=C\C
InChIInChI=1S/C15H20FN/c1-6-7-8-9-14(5)17-11-13(4)15(16)10-12(2)3/h6-10H,2,4,11H2,1,3,5H3/b7-6+,9-8-,15-10+,17-14+
InChIKeyYFLZJIFALITYGD-RNXZLZORSA-N
MW233.33 g/mol
LogP4.57
Rot. Bonds6

About (3Z,5E)-N-[(3E)-3-fluoro-5-methyl-2-methylidenehexa-3,5-dienyl]hepta-3,5-dien-2-imine

(3Z,5E)-N-[(3E)-3-fluoro-5-methyl-2-methylidenehexa-3,5-dienyl]hepta-3,5-dien-2-imine (PubChem CID 178135533) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is (3Z,5E)-N-[(3E)-3-fluoro-5-methyl-2-methylidenehexa-3,5-dienyl]hepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5E)-N-[(3E)-3-fluoro-5-methyl-2-methylidenehexa-3,5-dienyl]hepta-3,5-dien-2-imine
PubChem CID178135533
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name(3Z,5E)-N-[(3E)-3-fluoro-5-methyl-2-methylidenehexa-3,5-dienyl]hepta-3,5-dien-2-imine
SMILESC=C(C)/C=C(/F)C(=C)C/N=C(C)/C=C\C=C\C
InChIInChI=1S/C15H20FN/c1-6-7-8-9-14(5)17-11-13(4)15(16)10-12(2)3/h6-10H,2,4,11H2,1,3,5H3/b7-6+,9-8-,15-10+,17-14+
InChIKeyYFLZJIFALITYGD-RNXZLZORSA-N
XLogP4.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine
CID 90145839
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
(3E)-N-ethyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123705581
(3E)-N-methyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123905830
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
3-propan-2-yl-7-(trifluoromethyl)-2H-azepine
CID 126748774
(3E)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 130256677
6-Fluoro-2-methyl-8,8a-dihydroquinoline
CID 130413071
(3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine
CID 130413140
4-fluoro-7-methyl-2H-azepine
CID 131982638
7-methyl-5-(trifluoromethyl)-2H-azepine
CID 131996184
(3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-imine
CID 137506692

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-N-[(3E)-3-fluoro-5-methyl-2-methylidenehexa-3,5-dienyl]hepta-3,5-dien-2-imine?
The IUPAC name of (3Z,5E)-N-[(3E)-3-fluoro-5-methyl-2-methylidenehexa-3,5-dienyl]hepta-3,5-dien-2-imine (CID 178135533) is (3Z,5E)-N-[(3E)-3-fluoro-5-methyl-2-methylidenehexa-3,5-dienyl]hepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5E)-N-[(3E)-3-fluoro-5-methyl-2-methylidenehexa-3,5-dienyl]hepta-3,5-dien-2-imine?
The canonical SMILES for (3Z,5E)-N-[(3E)-3-fluoro-5-methyl-2-methylidenehexa-3,5-dienyl]hepta-3,5-dien-2-imine is C=C(C)/C=C(/F)C(=C)C/N=C(C)/C=C\C=C\C.
What is the InChIKey of (3Z,5E)-N-[(3E)-3-fluoro-5-methyl-2-methylidenehexa-3,5-dienyl]hepta-3,5-dien-2-imine?
The InChIKey is YFLZJIFALITYGD-RNXZLZORSA-N. The full InChI is InChI=1S/C15H20FN/c1-6-7-8-9-14(5)17-11-13(4)15(16)10-12(2)3/h6-10H,2,4,11H2,1,3,5H3/b7-6+,9-8-,15-10+,17-14+.
What are the key properties of (3Z,5E)-N-[(3E)-3-fluoro-5-methyl-2-methylidenehexa-3,5-dienyl]hepta-3,5-dien-2-imine?
(3Z,5E)-N-[(3E)-3-fluoro-5-methyl-2-methylidenehexa-3,5-dienyl]hepta-3,5-dien-2-imine has a molecular weight of 233.33 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-N-[(3E)-3-fluoro-5-methyl-2-methylidenehexa-3,5-dienyl]hepta-3,5-dien-2-imine is sourced from PubChem (CID 178135533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).