(1E,3Z)-2-fluoro-3-methylbuta-1,3-diene-1,4-diamine

C5H9FN2 — CID 130179873

IUPAC(1E,3Z)-2-fluoro-3-methylbuta-1,3-diene-1,4-diamine
SMILESCC(=C/N)/C(F)=C\N
InChIInChI=1S/C5H9FN2/c1-4(2-7)5(6)3-8/h2-3H,7-8H2,1H3/b4-2-,5-3+
InChIKeyIECXOCWPTNTMJL-VOERYJCWSA-N
MW116.14 g/mol
LogP0.62
Rot. Bonds1

About (1E,3Z)-2-fluoro-3-methylbuta-1,3-diene-1,4-diamine

(1E,3Z)-2-fluoro-3-methylbuta-1,3-diene-1,4-diamine (PubChem CID 130179873) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is (1E,3Z)-2-fluoro-3-methylbuta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-2-fluoro-3-methylbuta-1,3-diene-1,4-diamine
PubChem CID130179873
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name(1E,3Z)-2-fluoro-3-methylbuta-1,3-diene-1,4-diamine
SMILESCC(=C/N)/C(F)=C\N
InChIInChI=1S/C5H9FN2/c1-4(2-7)5(6)3-8/h2-3H,7-8H2,1H3/b4-2-,5-3+
InChIKeyIECXOCWPTNTMJL-VOERYJCWSA-N
XLogP0.62
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E,3Z)-2-fluoro-3-methylhexa-1,3,5-trien-1-amine
CID 89255885
(1E,3Z)-2-fluoro-4-methylhexa-1,3,5-trien-1-amine
CID 118592333
(E)-3-fluoro-2-methylbut-1-ene-1,3-diamine
CID 130243034
(Z)-2-fluoro-4-methyl-3-methylidenepent-1-en-1-amine
CID 132048690
(1Z,3Z)-4-fluoro-3-methylbuta-1,3-dien-1-amine
CID 135212730
(E)-2-(fluoromethyl)but-1-ene-1,4-diamine
CID 140493006
(Z)-2-(fluoromethyl)but-1-ene-1,4-diamine
CID 145789706
(1E,3E)-2-fluoro-3-methylbuta-1,3-diene-1,4-diamine
CID 146392502
(2Z)-2-(aminomethylidene)butanimidoyl fluoride
CID 146392689
(E)-4-fluoro-N,2-dimethylbut-1-en-1-amine
CID 146537502
(E)-3,3-difluoro-2-methylbut-1-en-1-amine
CID 149312346
(E)-2-(2-fluoropropan-2-yl)prop-1-ene-1,3-diamine
CID 156166683

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-fluoro-3-methylbuta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-2-fluoro-3-methylbuta-1,3-diene-1,4-diamine (CID 130179873) is (1E,3Z)-2-fluoro-3-methylbuta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-2-fluoro-3-methylbuta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-2-fluoro-3-methylbuta-1,3-diene-1,4-diamine is CC(=C/N)/C(F)=C\N.
What is the InChIKey of (1E,3Z)-2-fluoro-3-methylbuta-1,3-diene-1,4-diamine?
The InChIKey is IECXOCWPTNTMJL-VOERYJCWSA-N. The full InChI is InChI=1S/C5H9FN2/c1-4(2-7)5(6)3-8/h2-3H,7-8H2,1H3/b4-2-,5-3+.
What are the key properties of (1E,3Z)-2-fluoro-3-methylbuta-1,3-diene-1,4-diamine?
(1E,3Z)-2-fluoro-3-methylbuta-1,3-diene-1,4-diamine has a molecular weight of 116.14 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-fluoro-3-methylbuta-1,3-diene-1,4-diamine is sourced from PubChem (CID 130179873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).