(E)-3-fluorohex-3-en-2-imine

C6H10FN — CID 123164683

IUPAC(E)-3-fluorohex-3-en-2-imine
SMILES[H]/N=C(C)/C(F)=C\CC
InChIInChI=1S/C6H10FN/c1-3-4-6(7)5(2)8/h4,8H,3H2,1-2H3/b6-4+,8-5+
InChIKeyVGGFOURLKXCEKR-HLQBBKRNSA-N
MW115.15 g/mol
LogP2.29
Rot. Bonds2

About (E)-3-fluorohex-3-en-2-imine

(E)-3-fluorohex-3-en-2-imine (PubChem CID 123164683) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (E)-3-fluorohex-3-en-2-imine.

Molecular Properties

Compound Name(E)-3-fluorohex-3-en-2-imine
PubChem CID123164683
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name(E)-3-fluorohex-3-en-2-imine
SMILES[H]/N=C(C)/C(F)=C\CC
InChIInChI=1S/C6H10FN/c1-3-4-6(7)5(2)8/h4,8H,3H2,1-2H3/b6-4+,8-5+
InChIKeyVGGFOURLKXCEKR-HLQBBKRNSA-N
XLogP2.29
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 52.29
H-Bond Donors ≤ 51
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)-3-fluorohex-3-en-2-imine?
The IUPAC name of (E)-3-fluorohex-3-en-2-imine (CID 123164683) is (E)-3-fluorohex-3-en-2-imine.
What is the SMILES notation for (E)-3-fluorohex-3-en-2-imine?
The canonical SMILES for (E)-3-fluorohex-3-en-2-imine is [H]/N=C(C)/C(F)=C\CC.
What is the InChIKey of (E)-3-fluorohex-3-en-2-imine?
The InChIKey is VGGFOURLKXCEKR-HLQBBKRNSA-N. The full InChI is InChI=1S/C6H10FN/c1-3-4-6(7)5(2)8/h4,8H,3H2,1-2H3/b6-4+,8-5+.
What are the key properties of (E)-3-fluorohex-3-en-2-imine?
(E)-3-fluorohex-3-en-2-imine has a molecular weight of 115.15 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluorohex-3-en-2-imine is sourced from PubChem (CID 123164683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).