(2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine

C14H19F2N — CID 130414005

IUPAC(2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine
SMILESC=C(/C=C\C)/N=C\C=C/C/C=C(\C)C(C)(F)F
InChIInChI=1S/C14H19F2N/c1-5-9-13(3)17-11-8-6-7-10-12(2)14(4,15)16/h5-6,8-11H,3,7H2,1-2,4H3/b8-6-,9-5-,12-10+,17-11+
InChIKeyORZHNXCKLRIJOQ-UJFXILLJSA-N
MW239.31 g/mol
LogP4.69
Rot. Bonds6

About (2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine

(2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine (PubChem CID 130414005) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is (2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine.

Molecular Properties

Compound Name(2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine
PubChem CID130414005
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine
SMILESC=C(/C=C\C)/N=C\C=C/C/C=C(\C)C(C)(F)F
InChIInChI=1S/C14H19F2N/c1-5-9-13(3)17-11-8-6-7-10-12(2)14(4,15)16/h5-6,8-11H,3,7H2,1-2,4H3/b8-6-,9-5-,12-10+,17-11+
InChIKeyORZHNXCKLRIJOQ-UJFXILLJSA-N
XLogP4.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
N,3-dimethyl-4-methylidene-6-(trifluoromethyl)octa-2,5,7-trien-1-imine
CID 90705158
(Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine
CID 91428366
N-[(E)-1,1-difluoro-3-methylpent-2-en-2-yl]prop-2-en-1-imine
CID 117825719
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CID 123382262
(E)-N-[3-(ethenyliminomethyl)buta-1,3-dien-2-yl]-6,6,6-trifluoro-5-methylhex-4-en-3-imine
CID 123431326
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748
N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 123975815
N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
CID 126612017
2-methylidene-N-[(3E,5Z)-4-(trifluoromethyl)octa-1,3,5-trien-2-yl]butan-1-imine
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Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine?
The IUPAC name of (2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine (CID 130414005) is (2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine.
What is the SMILES notation for (2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine?
The canonical SMILES for (2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine is C=C(/C=C\C)/N=C\C=C/C/C=C(\C)C(C)(F)F.
What is the InChIKey of (2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine?
The InChIKey is ORZHNXCKLRIJOQ-UJFXILLJSA-N. The full InChI is InChI=1S/C14H19F2N/c1-5-9-13(3)17-11-8-6-7-10-12(2)14(4,15)16/h5-6,8-11H,3,7H2,1-2,4H3/b8-6-,9-5-,12-10+,17-11+.
What are the key properties of (2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine?
(2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine has a molecular weight of 239.31 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine is sourced from PubChem (CID 130414005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).