N-[(Z)-2-methylbut-1-enyl]ethanimidoyl fluoride

C7H12FN — CID 143494963

IUPACN-[(Z)-2-methylbut-1-enyl]ethanimidoyl fluoride
SMILESCC/C(C)=C\N=C(/C)F
InChIInChI=1S/C7H12FN/c1-4-6(2)5-9-7(3)8/h5H,4H2,1-3H3/b6-5-,9-7+
InChIKeyIHFNDSCJZQLZJV-BZWSEGBZSA-N
MW129.18 g/mol
LogP2.69
Rot. Bonds2

About N-[(Z)-2-methylbut-1-enyl]ethanimidoyl fluoride

N-[(Z)-2-methylbut-1-enyl]ethanimidoyl fluoride (PubChem CID 143494963) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is N-[(Z)-2-methylbut-1-enyl]ethanimidoyl fluoride.

Molecular Properties

Compound NameN-[(Z)-2-methylbut-1-enyl]ethanimidoyl fluoride
PubChem CID143494963
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC NameN-[(Z)-2-methylbut-1-enyl]ethanimidoyl fluoride
SMILESCC/C(C)=C\N=C(/C)F
InChIInChI=1S/C7H12FN/c1-4-6(2)5-9-7(3)8/h5H,4H2,1-3H3/b6-5-,9-7+
InChIKeyIHFNDSCJZQLZJV-BZWSEGBZSA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 52.69
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 N-[(Z)-2-methylbut-1-enyl]ethanimidoyl fluoride?
The IUPAC name of N-[(Z)-2-methylbut-1-enyl]ethanimidoyl fluoride (CID 143494963) is N-[(Z)-2-methylbut-1-enyl]ethanimidoyl fluoride.
What is the SMILES notation for N-[(Z)-2-methylbut-1-enyl]ethanimidoyl fluoride?
The canonical SMILES for N-[(Z)-2-methylbut-1-enyl]ethanimidoyl fluoride is CC/C(C)=C\N=C(/C)F.
What is the InChIKey of N-[(Z)-2-methylbut-1-enyl]ethanimidoyl fluoride?
The InChIKey is IHFNDSCJZQLZJV-BZWSEGBZSA-N. The full InChI is InChI=1S/C7H12FN/c1-4-6(2)5-9-7(3)8/h5H,4H2,1-3H3/b6-5-,9-7+.
What are the key properties of N-[(Z)-2-methylbut-1-enyl]ethanimidoyl fluoride?
N-[(Z)-2-methylbut-1-enyl]ethanimidoyl fluoride has a molecular weight of 129.18 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-methylbut-1-enyl]ethanimidoyl fluoride is sourced from PubChem (CID 143494963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).