(1Z,3Z)-7-fluoro-2,5-dimethylocta-1,3-dien-1-amine

C10H18FN — CID 130384137

IUPAC(1Z,3Z)-7-fluoro-2,5-dimethylocta-1,3-dien-1-amine
SMILESCC(/C=C\C(C)CC(C)F)=C/N
InChIInChI=1S/C10H18FN/c1-8(6-10(3)11)4-5-9(2)7-12/h4-5,7-8,10H,6,12H2,1-3H3/b5-4-,9-7-
InChIKeyOGUSTQCTIYBQKG-PHSHQRSZSA-N
MW171.26 g/mol
LogP2.79
Rot. Bonds4

About (1Z,3Z)-7-fluoro-2,5-dimethylocta-1,3-dien-1-amine

(1Z,3Z)-7-fluoro-2,5-dimethylocta-1,3-dien-1-amine (PubChem CID 130384137) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (1Z,3Z)-7-fluoro-2,5-dimethylocta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-7-fluoro-2,5-dimethylocta-1,3-dien-1-amine
PubChem CID130384137
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(1Z,3Z)-7-fluoro-2,5-dimethylocta-1,3-dien-1-amine
SMILESCC(/C=C\C(C)CC(C)F)=C/N
InChIInChI=1S/C10H18FN/c1-8(6-10(3)11)4-5-9(2)7-12/h4-5,7-8,10H,6,12H2,1-3H3/b5-4-,9-7-
InChIKeyOGUSTQCTIYBQKG-PHSHQRSZSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.79
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)-7-fluoro-2,5-dimethylocta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-7-fluoro-2,5-dimethylocta-1,3-dien-1-amine (CID 130384137) is (1Z,3Z)-7-fluoro-2,5-dimethylocta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-7-fluoro-2,5-dimethylocta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-7-fluoro-2,5-dimethylocta-1,3-dien-1-amine is CC(/C=C\C(C)CC(C)F)=C/N.
What is the InChIKey of (1Z,3Z)-7-fluoro-2,5-dimethylocta-1,3-dien-1-amine?
The InChIKey is OGUSTQCTIYBQKG-PHSHQRSZSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(6-10(3)11)4-5-9(2)7-12/h4-5,7-8,10H,6,12H2,1-3H3/b5-4-,9-7-.
What are the key properties of (1Z,3Z)-7-fluoro-2,5-dimethylocta-1,3-dien-1-amine?
(1Z,3Z)-7-fluoro-2,5-dimethylocta-1,3-dien-1-amine has a molecular weight of 171.26 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-7-fluoro-2,5-dimethylocta-1,3-dien-1-amine is sourced from PubChem (CID 130384137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).