(6Z,9E)-9-fluoro-5-methylideneundeca-6,9-dien-4-amine

C12H20FN — CID 163377010

IUPAC(6Z,9E)-9-fluoro-5-methylideneundeca-6,9-dien-4-amine
SMILESC=C(/C=C\C/C(F)=C\C)C(N)CCC
InChIInChI=1S/C12H20FN/c1-4-7-12(14)10(3)8-6-9-11(13)5-2/h5-6,8,12H,3-4,7,9,14H2,1-2H3/b8-6-,11-5+
InChIKeyDDWFBGLSFGTGKU-QHPKLMRPSA-N
MW197.30 g/mol
LogP3.49
Rot. Bonds6

About (6Z,9E)-9-fluoro-5-methylideneundeca-6,9-dien-4-amine

(6Z,9E)-9-fluoro-5-methylideneundeca-6,9-dien-4-amine (PubChem CID 163377010) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (6Z,9E)-9-fluoro-5-methylideneundeca-6,9-dien-4-amine.

Molecular Properties

Compound Name(6Z,9E)-9-fluoro-5-methylideneundeca-6,9-dien-4-amine
PubChem CID163377010
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(6Z,9E)-9-fluoro-5-methylideneundeca-6,9-dien-4-amine
SMILESC=C(/C=C\C/C(F)=C\C)C(N)CCC
InChIInChI=1S/C12H20FN/c1-4-7-12(14)10(3)8-6-9-11(13)5-2/h5-6,8,12H,3-4,7,9,14H2,1-2H3/b8-6-,11-5+
InChIKeyDDWFBGLSFGTGKU-QHPKLMRPSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.49
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 (6Z,9E)-9-fluoro-5-methylideneundeca-6,9-dien-4-amine?
The IUPAC name of (6Z,9E)-9-fluoro-5-methylideneundeca-6,9-dien-4-amine (CID 163377010) is (6Z,9E)-9-fluoro-5-methylideneundeca-6,9-dien-4-amine.
What is the SMILES notation for (6Z,9E)-9-fluoro-5-methylideneundeca-6,9-dien-4-amine?
The canonical SMILES for (6Z,9E)-9-fluoro-5-methylideneundeca-6,9-dien-4-amine is C=C(/C=C\C/C(F)=C\C)C(N)CCC.
What is the InChIKey of (6Z,9E)-9-fluoro-5-methylideneundeca-6,9-dien-4-amine?
The InChIKey is DDWFBGLSFGTGKU-QHPKLMRPSA-N. The full InChI is InChI=1S/C12H20FN/c1-4-7-12(14)10(3)8-6-9-11(13)5-2/h5-6,8,12H,3-4,7,9,14H2,1-2H3/b8-6-,11-5+.
What are the key properties of (6Z,9E)-9-fluoro-5-methylideneundeca-6,9-dien-4-amine?
(6Z,9E)-9-fluoro-5-methylideneundeca-6,9-dien-4-amine has a molecular weight of 197.30 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9E)-9-fluoro-5-methylideneundeca-6,9-dien-4-amine is sourced from PubChem (CID 163377010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).