(E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine

C10H14FN — CID 163739316

IUPAC(E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine
SMILESC=C(C)/C(F)=C(C)\N=C\C=C\C
InChIInChI=1S/C10H14FN/c1-5-6-7-12-9(4)10(11)8(2)3/h5-7H,2H2,1,3-4H3/b6-5+,10-9+,12-7+
InChIKeyLGJOWBUGIYFPQM-LVJKBXQCSA-N
MW167.23 g/mol
LogP3.41
Rot. Bonds3

About (E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine

(E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine (PubChem CID 163739316) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine
PubChem CID163739316
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine
SMILESC=C(C)/C(F)=C(C)\N=C\C=C\C
InChIInChI=1S/C10H14FN/c1-5-6-7-12-9(4)10(11)8(2)3/h5-7H,2H2,1,3-4H3/b6-5+,10-9+,12-7+
InChIKeyLGJOWBUGIYFPQM-LVJKBXQCSA-N
XLogP3.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 53.41
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine?
The IUPAC name of (E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine (CID 163739316) is (E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine.
What is the SMILES notation for (E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine?
The canonical SMILES for (E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine is C=C(C)/C(F)=C(C)\N=C\C=C\C.
What is the InChIKey of (E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine?
The InChIKey is LGJOWBUGIYFPQM-LVJKBXQCSA-N. The full InChI is InChI=1S/C10H14FN/c1-5-6-7-12-9(4)10(11)8(2)3/h5-7H,2H2,1,3-4H3/b6-5+,10-9+,12-7+.
What are the key properties of (E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine?
(E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine has a molecular weight of 167.23 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine is sourced from PubChem (CID 163739316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).