(Z)-1-fluoro-N-(methylideneamino)but-1-en-2-amine

C5H9FN2 — CID 176936769

IUPAC(Z)-1-fluoro-N-(methylideneamino)but-1-en-2-amine
SMILESC=NN/C(=C\F)CC
InChIInChI=1S/C5H9FN2/c1-3-5(4-6)8-7-2/h4,8H,2-3H2,1H3/b5-4-
InChIKeyLZXKTMXRAIINJL-PLNGDYQASA-N
MW116.14 g/mol
LogP1.41
Rot. Bonds3

About (Z)-1-fluoro-N-(methylideneamino)but-1-en-2-amine

(Z)-1-fluoro-N-(methylideneamino)but-1-en-2-amine (PubChem CID 176936769) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is (Z)-1-fluoro-N-(methylideneamino)but-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-fluoro-N-(methylideneamino)but-1-en-2-amine
PubChem CID176936769
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name(Z)-1-fluoro-N-(methylideneamino)but-1-en-2-amine
SMILESC=NN/C(=C\F)CC
InChIInChI=1S/C5H9FN2/c1-3-5(4-6)8-7-2/h4,8H,2-3H2,1H3/b5-4-
InChIKeyLZXKTMXRAIINJL-PLNGDYQASA-N
XLogP1.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-fluoro-N-(methylideneamino)but-1-en-2-amine?
The IUPAC name of (Z)-1-fluoro-N-(methylideneamino)but-1-en-2-amine (CID 176936769) is (Z)-1-fluoro-N-(methylideneamino)but-1-en-2-amine.
What is the SMILES notation for (Z)-1-fluoro-N-(methylideneamino)but-1-en-2-amine?
The canonical SMILES for (Z)-1-fluoro-N-(methylideneamino)but-1-en-2-amine is C=NN/C(=C\F)CC.
What is the InChIKey of (Z)-1-fluoro-N-(methylideneamino)but-1-en-2-amine?
The InChIKey is LZXKTMXRAIINJL-PLNGDYQASA-N. The full InChI is InChI=1S/C5H9FN2/c1-3-5(4-6)8-7-2/h4,8H,2-3H2,1H3/b5-4-.
What are the key properties of (Z)-1-fluoro-N-(methylideneamino)but-1-en-2-amine?
(Z)-1-fluoro-N-(methylideneamino)but-1-en-2-amine has a molecular weight of 116.14 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-fluoro-N-(methylideneamino)but-1-en-2-amine is sourced from PubChem (CID 176936769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).