(E)-N-[(2E)-2-chloropenta-2,4-dienyl]-3-fluoro-2-methylidenepent-3-en-1-imine

C11H13ClFN — CID 134343094

IUPAC(E)-N-[(2E)-2-chloropenta-2,4-dienyl]-3-fluoro-2-methylidenepent-3-en-1-imine
SMILESC=C/C=C(/Cl)C/N=C/C(=C)/C(F)=C\C
InChIInChI=1S/C11H13ClFN/c1-4-6-10(12)8-14-7-9(3)11(13)5-2/h4-7H,1,3,8H2,2H3/b10-6+,11-5+,14-7+
InChIKeyZKNFQVYYVSFUFD-RBOGMJBBSA-N
MW213.68 g/mol
LogP3.80
Rot. Bonds5

About (E)-N-[(2E)-2-chloropenta-2,4-dienyl]-3-fluoro-2-methylidenepent-3-en-1-imine

(E)-N-[(2E)-2-chloropenta-2,4-dienyl]-3-fluoro-2-methylidenepent-3-en-1-imine (PubChem CID 134343094) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is (E)-N-[(2E)-2-chloropenta-2,4-dienyl]-3-fluoro-2-methylidenepent-3-en-1-imine.

Molecular Properties

Compound Name(E)-N-[(2E)-2-chloropenta-2,4-dienyl]-3-fluoro-2-methylidenepent-3-en-1-imine
PubChem CID134343094
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name(E)-N-[(2E)-2-chloropenta-2,4-dienyl]-3-fluoro-2-methylidenepent-3-en-1-imine
SMILESC=C/C=C(/Cl)C/N=C/C(=C)/C(F)=C\C
InChIInChI=1S/C11H13ClFN/c1-4-6-10(12)8-14-7-9(3)11(13)5-2/h4-7H,1,3,8H2,2H3/b10-6+,11-5+,14-7+
InChIKeyZKNFQVYYVSFUFD-RBOGMJBBSA-N
XLogP3.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.80
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

(Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 145480550
N-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-2-methylprop-2-en-1-imine
CID 145540462
(2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine
CID 146667427
(3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine
CID 155306408
6-methyl-4-(trifluoromethyl)-2H-azepine
CID 156452690
(2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine
CID 163583953
(4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine
CID 171555436
6-(2-chloroethyl)-4-fluoro-2H-azepine
CID 172235565
N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
CID 174262416
2-Fluoro-2,5-dimethylazepine
CID 178157992
N-[(Z,2Z)-2-(1-fluoroethylidene)pent-3-enyl]ethanimine
CID 142913200
(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 143621189

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2E)-2-chloropenta-2,4-dienyl]-3-fluoro-2-methylidenepent-3-en-1-imine?
The IUPAC name of (E)-N-[(2E)-2-chloropenta-2,4-dienyl]-3-fluoro-2-methylidenepent-3-en-1-imine (CID 134343094) is (E)-N-[(2E)-2-chloropenta-2,4-dienyl]-3-fluoro-2-methylidenepent-3-en-1-imine.
What is the SMILES notation for (E)-N-[(2E)-2-chloropenta-2,4-dienyl]-3-fluoro-2-methylidenepent-3-en-1-imine?
The canonical SMILES for (E)-N-[(2E)-2-chloropenta-2,4-dienyl]-3-fluoro-2-methylidenepent-3-en-1-imine is C=C/C=C(/Cl)C/N=C/C(=C)/C(F)=C\C.
What is the InChIKey of (E)-N-[(2E)-2-chloropenta-2,4-dienyl]-3-fluoro-2-methylidenepent-3-en-1-imine?
The InChIKey is ZKNFQVYYVSFUFD-RBOGMJBBSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-4-6-10(12)8-14-7-9(3)11(13)5-2/h4-7H,1,3,8H2,2H3/b10-6+,11-5+,14-7+.
What are the key properties of (E)-N-[(2E)-2-chloropenta-2,4-dienyl]-3-fluoro-2-methylidenepent-3-en-1-imine?
(E)-N-[(2E)-2-chloropenta-2,4-dienyl]-3-fluoro-2-methylidenepent-3-en-1-imine has a molecular weight of 213.68 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2E)-2-chloropenta-2,4-dienyl]-3-fluoro-2-methylidenepent-3-en-1-imine is sourced from PubChem (CID 134343094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).