(4E,6Z)-9,9-difluoro-8-methylideneundeca-1,4,6-trien-4-amine

C12H17F2N — CID 162606381

IUPAC(4E,6Z)-9,9-difluoro-8-methylideneundeca-1,4,6-trien-4-amine
SMILESC=CC/C(N)=C\C=C/C(=C)C(F)(F)CC
InChIInChI=1S/C12H17F2N/c1-4-7-11(15)9-6-8-10(3)12(13,14)5-2/h4,6,8-9H,1,3,5,7,15H2,2H3/b8-6-,11-9+
InChIKeyCMTZLMJBGNEONP-ZOEDNYEGSA-N
MW213.27 g/mol
LogP3.56
Rot. Bonds6

About (4E,6Z)-9,9-difluoro-8-methylideneundeca-1,4,6-trien-4-amine

(4E,6Z)-9,9-difluoro-8-methylideneundeca-1,4,6-trien-4-amine (PubChem CID 162606381) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is (4E,6Z)-9,9-difluoro-8-methylideneundeca-1,4,6-trien-4-amine.

Molecular Properties

Compound Name(4E,6Z)-9,9-difluoro-8-methylideneundeca-1,4,6-trien-4-amine
PubChem CID162606381
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name(4E,6Z)-9,9-difluoro-8-methylideneundeca-1,4,6-trien-4-amine
SMILESC=CC/C(N)=C\C=C/C(=C)C(F)(F)CC
InChIInChI=1S/C12H17F2N/c1-4-7-11(15)9-6-8-10(3)12(13,14)5-2/h4,6,8-9H,1,3,5,7,15H2,2H3/b8-6-,11-9+
InChIKeyCMTZLMJBGNEONP-ZOEDNYEGSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(3Z)-7-methyldeca-1,3,5,6,9-pentaen-2-amine
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(3E,5E)-2-(trifluoromethyl)deca-1,3,5-triene
CID 10888998
6,6-dimethyl-5-methylidenehepta-1,3-diene
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Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-9,9-difluoro-8-methylideneundeca-1,4,6-trien-4-amine?
The IUPAC name of (4E,6Z)-9,9-difluoro-8-methylideneundeca-1,4,6-trien-4-amine (CID 162606381) is (4E,6Z)-9,9-difluoro-8-methylideneundeca-1,4,6-trien-4-amine.
What is the SMILES notation for (4E,6Z)-9,9-difluoro-8-methylideneundeca-1,4,6-trien-4-amine?
The canonical SMILES for (4E,6Z)-9,9-difluoro-8-methylideneundeca-1,4,6-trien-4-amine is C=CC/C(N)=C\C=C/C(=C)C(F)(F)CC.
What is the InChIKey of (4E,6Z)-9,9-difluoro-8-methylideneundeca-1,4,6-trien-4-amine?
The InChIKey is CMTZLMJBGNEONP-ZOEDNYEGSA-N. The full InChI is InChI=1S/C12H17F2N/c1-4-7-11(15)9-6-8-10(3)12(13,14)5-2/h4,6,8-9H,1,3,5,7,15H2,2H3/b8-6-,11-9+.
What are the key properties of (4E,6Z)-9,9-difluoro-8-methylideneundeca-1,4,6-trien-4-amine?
(4E,6Z)-9,9-difluoro-8-methylideneundeca-1,4,6-trien-4-amine has a molecular weight of 213.27 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-9,9-difluoro-8-methylideneundeca-1,4,6-trien-4-amine is sourced from PubChem (CID 162606381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).