(E)-4-(4-fluorocyclohexa-2,4-dien-1-yl)-N-prop-1-en-2-ylbut-3-en-2-imine

C13H16FN — CID 156880573

IUPAC(E)-4-(4-fluorocyclohexa-2,4-dien-1-yl)-N-prop-1-en-2-ylbut-3-en-2-imine
SMILESC=C(C)/N=C(C)/C=C/C1C=CC(F)=CC1
InChIInChI=1S/C13H16FN/c1-10(2)15-11(3)4-5-12-6-8-13(14)9-7-12/h4-6,8-9,12H,1,7H2,2-3H3/b5-4+,15-11+
InChIKeyYPEHJBNEKGASDD-WEPZFIBGSA-N
MW205.28 g/mol
LogP3.97
Rot. Bonds3

About (E)-4-(4-fluorocyclohexa-2,4-dien-1-yl)-N-prop-1-en-2-ylbut-3-en-2-imine

(E)-4-(4-fluorocyclohexa-2,4-dien-1-yl)-N-prop-1-en-2-ylbut-3-en-2-imine (PubChem CID 156880573) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is (E)-4-(4-fluorocyclohexa-2,4-dien-1-yl)-N-prop-1-en-2-ylbut-3-en-2-imine.

Molecular Properties

Compound Name(E)-4-(4-fluorocyclohexa-2,4-dien-1-yl)-N-prop-1-en-2-ylbut-3-en-2-imine
PubChem CID156880573
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name(E)-4-(4-fluorocyclohexa-2,4-dien-1-yl)-N-prop-1-en-2-ylbut-3-en-2-imine
SMILESC=C(C)/N=C(C)/C=C/C1C=CC(F)=CC1
InChIInChI=1S/C13H16FN/c1-10(2)15-11(3)4-5-12-6-8-13(14)9-7-12/h4-6,8-9,12H,1,7H2,2-3H3/b5-4+,15-11+
InChIKeyYPEHJBNEKGASDD-WEPZFIBGSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-fluorocyclohexa-2,4-dien-1-yl)-N-prop-1-en-2-ylbut-3-en-2-imine?
The IUPAC name of (E)-4-(4-fluorocyclohexa-2,4-dien-1-yl)-N-prop-1-en-2-ylbut-3-en-2-imine (CID 156880573) is (E)-4-(4-fluorocyclohexa-2,4-dien-1-yl)-N-prop-1-en-2-ylbut-3-en-2-imine.
What is the SMILES notation for (E)-4-(4-fluorocyclohexa-2,4-dien-1-yl)-N-prop-1-en-2-ylbut-3-en-2-imine?
The canonical SMILES for (E)-4-(4-fluorocyclohexa-2,4-dien-1-yl)-N-prop-1-en-2-ylbut-3-en-2-imine is C=C(C)/N=C(C)/C=C/C1C=CC(F)=CC1.
What is the InChIKey of (E)-4-(4-fluorocyclohexa-2,4-dien-1-yl)-N-prop-1-en-2-ylbut-3-en-2-imine?
The InChIKey is YPEHJBNEKGASDD-WEPZFIBGSA-N. The full InChI is InChI=1S/C13H16FN/c1-10(2)15-11(3)4-5-12-6-8-13(14)9-7-12/h4-6,8-9,12H,1,7H2,2-3H3/b5-4+,15-11+.
What are the key properties of (E)-4-(4-fluorocyclohexa-2,4-dien-1-yl)-N-prop-1-en-2-ylbut-3-en-2-imine?
(E)-4-(4-fluorocyclohexa-2,4-dien-1-yl)-N-prop-1-en-2-ylbut-3-en-2-imine has a molecular weight of 205.28 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-fluorocyclohexa-2,4-dien-1-yl)-N-prop-1-en-2-ylbut-3-en-2-imine is sourced from PubChem (CID 156880573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).