(E)-N,4-diethyl-5-fluorohex-4-en-3-imine

C10H18FN — CID 89330768

IUPAC(E)-N,4-diethyl-5-fluorohex-4-en-3-imine
SMILESCC/N=C(CC)/C(CC)=C(\C)F
InChIInChI=1S/C10H18FN/c1-5-9(8(4)11)10(6-2)12-7-3/h5-7H2,1-4H3/b9-8+,12-10+
InChIKeyCDPIFFPQEHCNHI-CDKJVOIVSA-N
MW171.26 g/mol
LogP3.51
Rot. Bonds4

About (E)-N,4-diethyl-5-fluorohex-4-en-3-imine

(E)-N,4-diethyl-5-fluorohex-4-en-3-imine (PubChem CID 89330768) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (E)-N,4-diethyl-5-fluorohex-4-en-3-imine.

Molecular Properties

Compound Name(E)-N,4-diethyl-5-fluorohex-4-en-3-imine
PubChem CID89330768
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(E)-N,4-diethyl-5-fluorohex-4-en-3-imine
SMILESCC/N=C(CC)/C(CC)=C(\C)F
InChIInChI=1S/C10H18FN/c1-5-9(8(4)11)10(6-2)12-7-3/h5-7H2,1-4H3/b9-8+,12-10+
InChIKeyCDPIFFPQEHCNHI-CDKJVOIVSA-N
XLogP3.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 53.51
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)-N,4-diethyl-5-fluorohex-4-en-3-imine?
The IUPAC name of (E)-N,4-diethyl-5-fluorohex-4-en-3-imine (CID 89330768) is (E)-N,4-diethyl-5-fluorohex-4-en-3-imine.
What is the SMILES notation for (E)-N,4-diethyl-5-fluorohex-4-en-3-imine?
The canonical SMILES for (E)-N,4-diethyl-5-fluorohex-4-en-3-imine is CC/N=C(CC)/C(CC)=C(\C)F.
What is the InChIKey of (E)-N,4-diethyl-5-fluorohex-4-en-3-imine?
The InChIKey is CDPIFFPQEHCNHI-CDKJVOIVSA-N. The full InChI is InChI=1S/C10H18FN/c1-5-9(8(4)11)10(6-2)12-7-3/h5-7H2,1-4H3/b9-8+,12-10+.
What are the key properties of (E)-N,4-diethyl-5-fluorohex-4-en-3-imine?
(E)-N,4-diethyl-5-fluorohex-4-en-3-imine has a molecular weight of 171.26 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,4-diethyl-5-fluorohex-4-en-3-imine is sourced from PubChem (CID 89330768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).