(Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine

C9H13FN2 — CID 118311796

IUPAC(Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine
SMILESC=C(C)/N=C/C(F)=C(C)/N=C/C
InChIInChI=1S/C9H13FN2/c1-5-11-8(4)9(10)6-12-7(2)3/h5-6H,2H2,1,3-4H3/b9-8-,11-5+,12-6+
InChIKeyBKWMCBQIWXWYEN-FGJJNLHOSA-N
MW168.21 g/mol
LogP2.88
Rot. Bonds3

About (Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine

(Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine (PubChem CID 118311796) has the molecular formula C9H13FN2 and a molecular weight of 168.21 g/mol. Its IUPAC name is (Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine
PubChem CID118311796
Molecular FormulaC9H13FN2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Name(Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine
SMILESC=C(C)/N=C/C(F)=C(C)/N=C/C
InChIInChI=1S/C9H13FN2/c1-5-11-8(4)9(10)6-12-7(2)3/h5-6H,2H2,1,3-4H3/b9-8-,11-5+,12-6+
InChIKeyBKWMCBQIWXWYEN-FGJJNLHOSA-N
XLogP2.88
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine?
The IUPAC name of (Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine (CID 118311796) is (Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine.
What is the SMILES notation for (Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine?
The canonical SMILES for (Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine is C=C(C)/N=C/C(F)=C(C)/N=C/C.
What is the InChIKey of (Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine?
The InChIKey is BKWMCBQIWXWYEN-FGJJNLHOSA-N. The full InChI is InChI=1S/C9H13FN2/c1-5-11-8(4)9(10)6-12-7(2)3/h5-6H,2H2,1,3-4H3/b9-8-,11-5+,12-6+.
What are the key properties of (Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine?
(Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine has a molecular weight of 168.21 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-N-ethylidene-2-fluoro-1-N-prop-1-en-2-ylbut-2-ene-1,3-diimine is sourced from PubChem (CID 118311796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).