(E)-3-fluoro-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine

C7H11FN2 — CID 145012030

IUPAC(E)-3-fluoro-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine
SMILESC=N/C(C)=C(F)\C(C)=N\C
InChIInChI=1S/C7H11FN2/c1-5(9-3)7(8)6(2)10-4/h3H2,1-2,4H3/b7-5+,10-6+
InChIKeyNSZDSQLVTOKHQC-YLNKAEQOSA-N
MW142.18 g/mol
LogP1.98
Rot. Bonds2

About (E)-3-fluoro-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine

(E)-3-fluoro-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine (PubChem CID 145012030) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is (E)-3-fluoro-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine.

Molecular Properties

Compound Name(E)-3-fluoro-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine
PubChem CID145012030
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name(E)-3-fluoro-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine
SMILESC=N/C(C)=C(F)\C(C)=N\C
InChIInChI=1S/C7H11FN2/c1-5(9-3)7(8)6(2)10-4/h3H2,1-2,4H3/b7-5+,10-6+
InChIKeyNSZDSQLVTOKHQC-YLNKAEQOSA-N
XLogP1.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-N-methylhex-3-en-2-imine
CID 123282924
(E)-3-fluoro-4-methyliminopent-2-en-2-amine
CID 156792437
(E)-4-N-ethylidene-3-fluoropent-3-ene-2,4-diimine
CID 158525661
(Z)-3,4-difluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine
CID 163443571
N-[(E)-3-amino-4-iminopent-2-en-2-yl]ethanimidoyl fluoride
CID 170192607
(E)-4-imino-2-(methylideneamino)pent-2-en-3-amine
CID 117900904
(E)-2-(methylideneamino)-4-methyliminopent-2-en-3-amine
CID 166982298

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine?
The IUPAC name of (E)-3-fluoro-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine (CID 145012030) is (E)-3-fluoro-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine.
What is the SMILES notation for (E)-3-fluoro-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine?
The canonical SMILES for (E)-3-fluoro-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine is C=N/C(C)=C(F)\C(C)=N\C.
What is the InChIKey of (E)-3-fluoro-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine?
The InChIKey is NSZDSQLVTOKHQC-YLNKAEQOSA-N. The full InChI is InChI=1S/C7H11FN2/c1-5(9-3)7(8)6(2)10-4/h3H2,1-2,4H3/b7-5+,10-6+.
What are the key properties of (E)-3-fluoro-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine?
(E)-3-fluoro-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine has a molecular weight of 142.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine is sourced from PubChem (CID 145012030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).