(2Z,4Z)-6-fluoro-5-propan-2-ylocta-2,4-dien-2-amine

C11H20FN — CID 166788778

IUPAC(2Z,4Z)-6-fluoro-5-propan-2-ylocta-2,4-dien-2-amine
SMILESCCC(F)/C(=C\C=C(\C)N)C(C)C
InChIInChI=1S/C11H20FN/c1-5-11(12)10(8(2)3)7-6-9(4)13/h6-8,11H,5,13H2,1-4H3/b9-6-,10-7-
InChIKeyRDYHBWFQYMUNHP-LFPVQMOXSA-N
MW185.29 g/mol
LogP3.18
Rot. Bonds4

About (2Z,4Z)-6-fluoro-5-propan-2-ylocta-2,4-dien-2-amine

(2Z,4Z)-6-fluoro-5-propan-2-ylocta-2,4-dien-2-amine (PubChem CID 166788778) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is (2Z,4Z)-6-fluoro-5-propan-2-ylocta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-6-fluoro-5-propan-2-ylocta-2,4-dien-2-amine
PubChem CID166788778
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name(2Z,4Z)-6-fluoro-5-propan-2-ylocta-2,4-dien-2-amine
SMILESCCC(F)/C(=C\C=C(\C)N)C(C)C
InChIInChI=1S/C11H20FN/c1-5-11(12)10(8(2)3)7-6-9(4)13/h6-8,11H,5,13H2,1-4H3/b9-6-,10-7-
InChIKeyRDYHBWFQYMUNHP-LFPVQMOXSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 53.18
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 (2Z,4Z)-6-fluoro-5-propan-2-ylocta-2,4-dien-2-amine?
The IUPAC name of (2Z,4Z)-6-fluoro-5-propan-2-ylocta-2,4-dien-2-amine (CID 166788778) is (2Z,4Z)-6-fluoro-5-propan-2-ylocta-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4Z)-6-fluoro-5-propan-2-ylocta-2,4-dien-2-amine?
The canonical SMILES for (2Z,4Z)-6-fluoro-5-propan-2-ylocta-2,4-dien-2-amine is CCC(F)/C(=C\C=C(\C)N)C(C)C.
What is the InChIKey of (2Z,4Z)-6-fluoro-5-propan-2-ylocta-2,4-dien-2-amine?
The InChIKey is RDYHBWFQYMUNHP-LFPVQMOXSA-N. The full InChI is InChI=1S/C11H20FN/c1-5-11(12)10(8(2)3)7-6-9(4)13/h6-8,11H,5,13H2,1-4H3/b9-6-,10-7-.
What are the key properties of (2Z,4Z)-6-fluoro-5-propan-2-ylocta-2,4-dien-2-amine?
(2Z,4Z)-6-fluoro-5-propan-2-ylocta-2,4-dien-2-amine has a molecular weight of 185.29 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-fluoro-5-propan-2-ylocta-2,4-dien-2-amine is sourced from PubChem (CID 166788778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).