(4Z)-1-fluoro-4-methylhepta-4,6-dien-2-yn-1-amine

C8H10FN — CID 155216118

IUPAC(4Z)-1-fluoro-4-methylhepta-4,6-dien-2-yn-1-amine
SMILESC=C/C=C(/C)C#CC(N)F
InChIInChI=1S/C8H10FN/c1-3-4-7(2)5-6-8(9)10/h3-4,8H,1,10H2,2H3/b7-4-
InChIKeyYXAMAGSHAFZOJB-DAXSKMNVSA-N
MW139.17 g/mol
LogP1.38
Rot. Bonds1

About (4Z)-1-fluoro-4-methylhepta-4,6-dien-2-yn-1-amine

(4Z)-1-fluoro-4-methylhepta-4,6-dien-2-yn-1-amine (PubChem CID 155216118) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is (4Z)-1-fluoro-4-methylhepta-4,6-dien-2-yn-1-amine.

Molecular Properties

Compound Name(4Z)-1-fluoro-4-methylhepta-4,6-dien-2-yn-1-amine
PubChem CID155216118
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name(4Z)-1-fluoro-4-methylhepta-4,6-dien-2-yn-1-amine
SMILESC=C/C=C(/C)C#CC(N)F
InChIInChI=1S/C8H10FN/c1-3-4-7(2)5-6-8(9)10/h3-4,8H,1,10H2,2H3/b7-4-
InChIKeyYXAMAGSHAFZOJB-DAXSKMNVSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-1-fluoro-4-methylhepta-4,6-dien-2-yn-1-amine?
The IUPAC name of (4Z)-1-fluoro-4-methylhepta-4,6-dien-2-yn-1-amine (CID 155216118) is (4Z)-1-fluoro-4-methylhepta-4,6-dien-2-yn-1-amine.
What is the SMILES notation for (4Z)-1-fluoro-4-methylhepta-4,6-dien-2-yn-1-amine?
The canonical SMILES for (4Z)-1-fluoro-4-methylhepta-4,6-dien-2-yn-1-amine is C=C/C=C(/C)C#CC(N)F.
What is the InChIKey of (4Z)-1-fluoro-4-methylhepta-4,6-dien-2-yn-1-amine?
The InChIKey is YXAMAGSHAFZOJB-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H10FN/c1-3-4-7(2)5-6-8(9)10/h3-4,8H,1,10H2,2H3/b7-4-.
What are the key properties of (4Z)-1-fluoro-4-methylhepta-4,6-dien-2-yn-1-amine?
(4Z)-1-fluoro-4-methylhepta-4,6-dien-2-yn-1-amine has a molecular weight of 139.17 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-fluoro-4-methylhepta-4,6-dien-2-yn-1-amine is sourced from PubChem (CID 155216118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).