(E)-N-[(E)-3-fluorobut-2-en-2-yl]-2-methylhex-2-enimidoyl fluoride

C11H17F2N — CID 162686738

IUPAC(E)-N-[(E)-3-fluorobut-2-en-2-yl]-2-methylhex-2-enimidoyl fluoride
SMILESCCC/C=C(C)/C(F)=N/C(C)=C(\C)F
InChIInChI=1S/C11H17F2N/c1-5-6-7-8(2)11(13)14-10(4)9(3)12/h7H,5-6H2,1-4H3/b8-7+,10-9+,14-11-
InChIKeyCMAMLYWIAJBVQU-UYLJABSDSA-N
MW201.26 g/mol
LogP4.32
Rot. Bonds4

About (E)-N-[(E)-3-fluorobut-2-en-2-yl]-2-methylhex-2-enimidoyl fluoride

(E)-N-[(E)-3-fluorobut-2-en-2-yl]-2-methylhex-2-enimidoyl fluoride (PubChem CID 162686738) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is (E)-N-[(E)-3-fluorobut-2-en-2-yl]-2-methylhex-2-enimidoyl fluoride.

Molecular Properties

Compound Name(E)-N-[(E)-3-fluorobut-2-en-2-yl]-2-methylhex-2-enimidoyl fluoride
PubChem CID162686738
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name(E)-N-[(E)-3-fluorobut-2-en-2-yl]-2-methylhex-2-enimidoyl fluoride
SMILESCCC/C=C(C)/C(F)=N/C(C)=C(\C)F
InChIInChI=1S/C11H17F2N/c1-5-6-7-8(2)11(13)14-10(4)9(3)12/h7H,5-6H2,1-4H3/b8-7+,10-9+,14-11-
InChIKeyCMAMLYWIAJBVQU-UYLJABSDSA-N
XLogP4.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 54.32
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-[(E)-3-fluorobut-2-en-2-yl]-2-methylhex-2-enimidoyl fluoride?
The IUPAC name of (E)-N-[(E)-3-fluorobut-2-en-2-yl]-2-methylhex-2-enimidoyl fluoride (CID 162686738) is (E)-N-[(E)-3-fluorobut-2-en-2-yl]-2-methylhex-2-enimidoyl fluoride.
What is the SMILES notation for (E)-N-[(E)-3-fluorobut-2-en-2-yl]-2-methylhex-2-enimidoyl fluoride?
The canonical SMILES for (E)-N-[(E)-3-fluorobut-2-en-2-yl]-2-methylhex-2-enimidoyl fluoride is CCC/C=C(C)/C(F)=N/C(C)=C(\C)F.
What is the InChIKey of (E)-N-[(E)-3-fluorobut-2-en-2-yl]-2-methylhex-2-enimidoyl fluoride?
The InChIKey is CMAMLYWIAJBVQU-UYLJABSDSA-N. The full InChI is InChI=1S/C11H17F2N/c1-5-6-7-8(2)11(13)14-10(4)9(3)12/h7H,5-6H2,1-4H3/b8-7+,10-9+,14-11-.
What are the key properties of (E)-N-[(E)-3-fluorobut-2-en-2-yl]-2-methylhex-2-enimidoyl fluoride?
(E)-N-[(E)-3-fluorobut-2-en-2-yl]-2-methylhex-2-enimidoyl fluoride has a molecular weight of 201.26 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-3-fluorobut-2-en-2-yl]-2-methylhex-2-enimidoyl fluoride is sourced from PubChem (CID 162686738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).