(1Z,3Z)-4-fluoro-3-methylbuta-1,3-dien-1-amine

C5H8FN — CID 135212730

IUPAC(1Z,3Z)-4-fluoro-3-methylbuta-1,3-dien-1-amine
SMILESCC(/C=C\N)=C/F
InChIInChI=1S/C5H8FN/c1-5(4-6)2-3-7/h2-4H,7H2,1H3/b3-2-,5-4-
InChIKeyFZQPBIGDBWAOHX-LDIADDGTSA-N
MW101.12 g/mol
LogP1.33
Rot. Bonds1

About (1Z,3Z)-4-fluoro-3-methylbuta-1,3-dien-1-amine

(1Z,3Z)-4-fluoro-3-methylbuta-1,3-dien-1-amine (PubChem CID 135212730) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is (1Z,3Z)-4-fluoro-3-methylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-4-fluoro-3-methylbuta-1,3-dien-1-amine
PubChem CID135212730
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name(1Z,3Z)-4-fluoro-3-methylbuta-1,3-dien-1-amine
SMILESCC(/C=C\N)=C/F
InChIInChI=1S/C5H8FN/c1-5(4-6)2-3-7/h2-4H,7H2,1H3/b3-2-,5-4-
InChIKeyFZQPBIGDBWAOHX-LDIADDGTSA-N
XLogP1.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-4-fluoro-3-methylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-4-fluoro-3-methylbuta-1,3-dien-1-amine (CID 135212730) is (1Z,3Z)-4-fluoro-3-methylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-4-fluoro-3-methylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-4-fluoro-3-methylbuta-1,3-dien-1-amine is CC(/C=C\N)=C/F.
What is the InChIKey of (1Z,3Z)-4-fluoro-3-methylbuta-1,3-dien-1-amine?
The InChIKey is FZQPBIGDBWAOHX-LDIADDGTSA-N. The full InChI is InChI=1S/C5H8FN/c1-5(4-6)2-3-7/h2-4H,7H2,1H3/b3-2-,5-4-.
What are the key properties of (1Z,3Z)-4-fluoro-3-methylbuta-1,3-dien-1-amine?
(1Z,3Z)-4-fluoro-3-methylbuta-1,3-dien-1-amine has a molecular weight of 101.12 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-4-fluoro-3-methylbuta-1,3-dien-1-amine is sourced from PubChem (CID 135212730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).