(Z)-2-ethyl-3-fluoro-4-methyliminobut-2-enenitrile

C7H9FN2 — CID 163224598

IUPAC(Z)-2-ethyl-3-fluoro-4-methyliminobut-2-enenitrile
SMILESCC/C(C#N)=C(F)\C=N\C
InChIInChI=1S/C7H9FN2/c1-3-6(4-9)7(8)5-10-2/h5H,3H2,1-2H3/b7-6-,10-5+
InChIKeyZPPWIHCCEAHJCI-JQEGGOPCSA-N
MW140.16 g/mol
LogP1.84
Rot. Bonds2

About (Z)-2-ethyl-3-fluoro-4-methyliminobut-2-enenitrile

(Z)-2-ethyl-3-fluoro-4-methyliminobut-2-enenitrile (PubChem CID 163224598) has the molecular formula C7H9FN2 and a molecular weight of 140.16 g/mol. Its IUPAC name is (Z)-2-ethyl-3-fluoro-4-methyliminobut-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-ethyl-3-fluoro-4-methyliminobut-2-enenitrile
PubChem CID163224598
Molecular FormulaC7H9FN2
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name(Z)-2-ethyl-3-fluoro-4-methyliminobut-2-enenitrile
SMILESCC/C(C#N)=C(F)\C=N\C
InChIInChI=1S/C7H9FN2/c1-3-6(4-9)7(8)5-10-2/h5H,3H2,1-2H3/b7-6-,10-5+
InChIKeyZPPWIHCCEAHJCI-JQEGGOPCSA-N
XLogP1.84
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-methyl-2-(methyliminomethyl)pent-2-enenitrile
CID 142029965
(E)-2-ethyl-4-methyliminobut-2-enenitrile
CID 163224262

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-3-fluoro-4-methyliminobut-2-enenitrile?
The IUPAC name of (Z)-2-ethyl-3-fluoro-4-methyliminobut-2-enenitrile (CID 163224598) is (Z)-2-ethyl-3-fluoro-4-methyliminobut-2-enenitrile.
What is the SMILES notation for (Z)-2-ethyl-3-fluoro-4-methyliminobut-2-enenitrile?
The canonical SMILES for (Z)-2-ethyl-3-fluoro-4-methyliminobut-2-enenitrile is CC/C(C#N)=C(F)\C=N\C.
What is the InChIKey of (Z)-2-ethyl-3-fluoro-4-methyliminobut-2-enenitrile?
The InChIKey is ZPPWIHCCEAHJCI-JQEGGOPCSA-N. The full InChI is InChI=1S/C7H9FN2/c1-3-6(4-9)7(8)5-10-2/h5H,3H2,1-2H3/b7-6-,10-5+.
What are the key properties of (Z)-2-ethyl-3-fluoro-4-methyliminobut-2-enenitrile?
(Z)-2-ethyl-3-fluoro-4-methyliminobut-2-enenitrile has a molecular weight of 140.16 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-3-fluoro-4-methyliminobut-2-enenitrile is sourced from PubChem (CID 163224598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).