(3Z,5E,9E)-7,10-difluorododeca-3,5,9-trien-5-amine

C12H19F2N — CID 139522061

IUPAC(3Z,5E,9E)-7,10-difluorododeca-3,5,9-trien-5-amine
SMILESCC/C=C\C(N)=C/C(F)C/C=C(/F)CC
InChIInChI=1S/C12H19F2N/c1-3-5-6-12(15)9-11(14)8-7-10(13)4-2/h5-7,9,11H,3-4,8,15H2,1-2H3/b6-5-,10-7+,12-9+
InChIKeyHFQSEHDGHLBJLZ-YKWTYFAOSA-N
MW215.29 g/mol
LogP3.79
Rot. Bonds6

About (3Z,5E,9E)-7,10-difluorododeca-3,5,9-trien-5-amine

(3Z,5E,9E)-7,10-difluorododeca-3,5,9-trien-5-amine (PubChem CID 139522061) has the molecular formula C12H19F2N and a molecular weight of 215.29 g/mol. Its IUPAC name is (3Z,5E,9E)-7,10-difluorododeca-3,5,9-trien-5-amine.

Molecular Properties

Compound Name(3Z,5E,9E)-7,10-difluorododeca-3,5,9-trien-5-amine
PubChem CID139522061
Molecular FormulaC12H19F2N
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(3Z,5E,9E)-7,10-difluorododeca-3,5,9-trien-5-amine
SMILESCC/C=C\C(N)=C/C(F)C/C=C(/F)CC
InChIInChI=1S/C12H19F2N/c1-3-5-6-12(15)9-11(14)8-7-10(13)4-2/h5-7,9,11H,3-4,8,15H2,1-2H3/b6-5-,10-7+,12-9+
InChIKeyHFQSEHDGHLBJLZ-YKWTYFAOSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 53.79
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 (3Z,5E,9E)-7,10-difluorododeca-3,5,9-trien-5-amine?
The IUPAC name of (3Z,5E,9E)-7,10-difluorododeca-3,5,9-trien-5-amine (CID 139522061) is (3Z,5E,9E)-7,10-difluorododeca-3,5,9-trien-5-amine.
What is the SMILES notation for (3Z,5E,9E)-7,10-difluorododeca-3,5,9-trien-5-amine?
The canonical SMILES for (3Z,5E,9E)-7,10-difluorododeca-3,5,9-trien-5-amine is CC/C=C\C(N)=C/C(F)C/C=C(/F)CC.
What is the InChIKey of (3Z,5E,9E)-7,10-difluorododeca-3,5,9-trien-5-amine?
The InChIKey is HFQSEHDGHLBJLZ-YKWTYFAOSA-N. The full InChI is InChI=1S/C12H19F2N/c1-3-5-6-12(15)9-11(14)8-7-10(13)4-2/h5-7,9,11H,3-4,8,15H2,1-2H3/b6-5-,10-7+,12-9+.
What are the key properties of (3Z,5E,9E)-7,10-difluorododeca-3,5,9-trien-5-amine?
(3Z,5E,9E)-7,10-difluorododeca-3,5,9-trien-5-amine has a molecular weight of 215.29 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,9E)-7,10-difluorododeca-3,5,9-trien-5-amine is sourced from PubChem (CID 139522061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).