(E)-N-(fluoromethyl)but-2-en-2-amine

C5H10FN — CID 162074226

IUPAC(E)-N-(fluoromethyl)but-2-en-2-amine
SMILESC/C=C(\C)NCF
InChIInChI=1S/C5H10FN/c1-3-5(2)7-4-6/h3,7H,4H2,1-2H3/b5-3+
InChIKeyZBMMQNMFIVIZAR-HWKANZROSA-N
MW103.14 g/mol
LogP1.43
Rot. Bonds2

About (E)-N-(fluoromethyl)but-2-en-2-amine

(E)-N-(fluoromethyl)but-2-en-2-amine (PubChem CID 162074226) has the molecular formula C5H10FN and a molecular weight of 103.14 g/mol. Its IUPAC name is (E)-N-(fluoromethyl)but-2-en-2-amine.

Molecular Properties

Compound Name(E)-N-(fluoromethyl)but-2-en-2-amine
PubChem CID162074226
Molecular FormulaC5H10FN
Molecular Weight103.14 g/mol
Exact Mass103.08
IUPAC Name(E)-N-(fluoromethyl)but-2-en-2-amine
SMILESC/C=C(\C)NCF
InChIInChI=1S/C5H10FN/c1-3-5(2)7-4-6/h3,7H,4H2,1-2H3/b5-3+
InChIKeyZBMMQNMFIVIZAR-HWKANZROSA-N
XLogP1.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(fluoromethyl)but-2-en-2-amine?
The IUPAC name of (E)-N-(fluoromethyl)but-2-en-2-amine (CID 162074226) is (E)-N-(fluoromethyl)but-2-en-2-amine.
What is the SMILES notation for (E)-N-(fluoromethyl)but-2-en-2-amine?
The canonical SMILES for (E)-N-(fluoromethyl)but-2-en-2-amine is C/C=C(\C)NCF.
What is the InChIKey of (E)-N-(fluoromethyl)but-2-en-2-amine?
The InChIKey is ZBMMQNMFIVIZAR-HWKANZROSA-N. The full InChI is InChI=1S/C5H10FN/c1-3-5(2)7-4-6/h3,7H,4H2,1-2H3/b5-3+.
What are the key properties of (E)-N-(fluoromethyl)but-2-en-2-amine?
(E)-N-(fluoromethyl)but-2-en-2-amine has a molecular weight of 103.14 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(fluoromethyl)but-2-en-2-amine is sourced from PubChem (CID 162074226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).