(N'Z,E)-4-fluoro-N'-(2-fluoropropylidene)-2,2-dimethylbut-3-ene-1,4-diimine

C9H14F2N2 — CID 142012950

IUPAC(N'Z,E)-4-fluoro-N'-(2-fluoropropylidene)-2,2-dimethylbut-3-ene-1,4-diimine
SMILES[H]/N=C/C(C)(C)/C=C(F)\N=C/C(C)F
InChIInChI=1S/C9H14F2N2/c1-7(10)5-13-8(11)4-9(2,3)6-12/h4-7,12H,1-3H3/b8-4-,12-6+,13-5-
InChIKeyFOHCDNDITYQKOS-MXKVUGLYSA-N
MW188.22 g/mol
LogP2.90
Rot. Bonds4

About (N'Z,E)-4-fluoro-N'-(2-fluoropropylidene)-2,2-dimethylbut-3-ene-1,4-diimine

(N'Z,E)-4-fluoro-N'-(2-fluoropropylidene)-2,2-dimethylbut-3-ene-1,4-diimine (PubChem CID 142012950) has the molecular formula C9H14F2N2 and a molecular weight of 188.22 g/mol. Its IUPAC name is (N'Z,E)-4-fluoro-N'-(2-fluoropropylidene)-2,2-dimethylbut-3-ene-1,4-diimine.

Molecular Properties

Compound Name(N'Z,E)-4-fluoro-N'-(2-fluoropropylidene)-2,2-dimethylbut-3-ene-1,4-diimine
PubChem CID142012950
Molecular FormulaC9H14F2N2
Molecular Weight188.22 g/mol
Exact Mass188.11
IUPAC Name(N'Z,E)-4-fluoro-N'-(2-fluoropropylidene)-2,2-dimethylbut-3-ene-1,4-diimine
SMILES[H]/N=C/C(C)(C)/C=C(F)\N=C/C(C)F
InChIInChI=1S/C9H14F2N2/c1-7(10)5-13-8(11)4-9(2,3)6-12/h4-7,12H,1-3H3/b8-4-,12-6+,13-5-
InChIKeyFOHCDNDITYQKOS-MXKVUGLYSA-N
XLogP2.90
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (N'Z,E)-4-fluoro-N'-(2-fluoropropylidene)-2,2-dimethylbut-3-ene-1,4-diimine?
The IUPAC name of (N'Z,E)-4-fluoro-N'-(2-fluoropropylidene)-2,2-dimethylbut-3-ene-1,4-diimine (CID 142012950) is (N'Z,E)-4-fluoro-N'-(2-fluoropropylidene)-2,2-dimethylbut-3-ene-1,4-diimine.
What is the SMILES notation for (N'Z,E)-4-fluoro-N'-(2-fluoropropylidene)-2,2-dimethylbut-3-ene-1,4-diimine?
The canonical SMILES for (N'Z,E)-4-fluoro-N'-(2-fluoropropylidene)-2,2-dimethylbut-3-ene-1,4-diimine is [H]/N=C/C(C)(C)/C=C(F)\N=C/C(C)F.
What is the InChIKey of (N'Z,E)-4-fluoro-N'-(2-fluoropropylidene)-2,2-dimethylbut-3-ene-1,4-diimine?
The InChIKey is FOHCDNDITYQKOS-MXKVUGLYSA-N. The full InChI is InChI=1S/C9H14F2N2/c1-7(10)5-13-8(11)4-9(2,3)6-12/h4-7,12H,1-3H3/b8-4-,12-6+,13-5-.
What are the key properties of (N'Z,E)-4-fluoro-N'-(2-fluoropropylidene)-2,2-dimethylbut-3-ene-1,4-diimine?
(N'Z,E)-4-fluoro-N'-(2-fluoropropylidene)-2,2-dimethylbut-3-ene-1,4-diimine has a molecular weight of 188.22 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (N'Z,E)-4-fluoro-N'-(2-fluoropropylidene)-2,2-dimethylbut-3-ene-1,4-diimine is sourced from PubChem (CID 142012950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).