(1Z,3Z,5E)-2,6-difluoro-5-methylhexa-1,3,5-trien-1-amine

C7H9F2N — CID 90436398

IUPAC(1Z,3Z,5E)-2,6-difluoro-5-methylhexa-1,3,5-trien-1-amine
SMILESCC(/C=C\C(F)=C\N)=C\F
InChIInChI=1S/C7H9F2N/c1-6(4-8)2-3-7(9)5-10/h2-5H,10H2,1H3/b3-2-,6-4+,7-5-
InChIKeyAYAZJJWKWPUJIG-GDQASGNKSA-N
MW145.15 g/mol
LogP2.19
Rot. Bonds2

About (1Z,3Z,5E)-2,6-difluoro-5-methylhexa-1,3,5-trien-1-amine

(1Z,3Z,5E)-2,6-difluoro-5-methylhexa-1,3,5-trien-1-amine (PubChem CID 90436398) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is (1Z,3Z,5E)-2,6-difluoro-5-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z,5E)-2,6-difluoro-5-methylhexa-1,3,5-trien-1-amine
PubChem CID90436398
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name(1Z,3Z,5E)-2,6-difluoro-5-methylhexa-1,3,5-trien-1-amine
SMILESCC(/C=C\C(F)=C\N)=C\F
InChIInChI=1S/C7H9F2N/c1-6(4-8)2-3-7(9)5-10/h2-5H,10H2,1H3/b3-2-,6-4+,7-5-
InChIKeyAYAZJJWKWPUJIG-GDQASGNKSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 52.19
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,5E)-2,6-difluoro-5-methylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z,5E)-2,6-difluoro-5-methylhexa-1,3,5-trien-1-amine (CID 90436398) is (1Z,3Z,5E)-2,6-difluoro-5-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z,5E)-2,6-difluoro-5-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z,5E)-2,6-difluoro-5-methylhexa-1,3,5-trien-1-amine is CC(/C=C\C(F)=C\N)=C\F.
What is the InChIKey of (1Z,3Z,5E)-2,6-difluoro-5-methylhexa-1,3,5-trien-1-amine?
The InChIKey is AYAZJJWKWPUJIG-GDQASGNKSA-N. The full InChI is InChI=1S/C7H9F2N/c1-6(4-8)2-3-7(9)5-10/h2-5H,10H2,1H3/b3-2-,6-4+,7-5-.
What are the key properties of (1Z,3Z,5E)-2,6-difluoro-5-methylhexa-1,3,5-trien-1-amine?
(1Z,3Z,5E)-2,6-difluoro-5-methylhexa-1,3,5-trien-1-amine has a molecular weight of 145.15 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5E)-2,6-difluoro-5-methylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 90436398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).