(2E,4E)-3,5-difluorohepta-2,4,6-trien-2-amine

C7H9F2N — CID 122599448

IUPAC(2E,4E)-3,5-difluorohepta-2,4,6-trien-2-amine
SMILESC=C/C(F)=C\C(F)=C(\C)N
InChIInChI=1S/C7H9F2N/c1-3-6(8)4-7(9)5(2)10/h3-4H,1,10H2,2H3/b6-4+,7-5+
InChIKeyMCCUBCFWZZMZJQ-YDFGWWAZSA-N
MW145.15 g/mol
LogP2.19
Rot. Bonds2

About (2E,4E)-3,5-difluorohepta-2,4,6-trien-2-amine

(2E,4E)-3,5-difluorohepta-2,4,6-trien-2-amine (PubChem CID 122599448) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is (2E,4E)-3,5-difluorohepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E)-3,5-difluorohepta-2,4,6-trien-2-amine
PubChem CID122599448
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name(2E,4E)-3,5-difluorohepta-2,4,6-trien-2-amine
SMILESC=C/C(F)=C\C(F)=C(\C)N
InChIInChI=1S/C7H9F2N/c1-3-6(8)4-7(9)5(2)10/h3-4H,1,10H2,2H3/b6-4+,7-5+
InChIKeyMCCUBCFWZZMZJQ-YDFGWWAZSA-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 (2E,4E)-3,5-difluorohepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E)-3,5-difluorohepta-2,4,6-trien-2-amine (CID 122599448) is (2E,4E)-3,5-difluorohepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E)-3,5-difluorohepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E)-3,5-difluorohepta-2,4,6-trien-2-amine is C=C/C(F)=C\C(F)=C(\C)N.
What is the InChIKey of (2E,4E)-3,5-difluorohepta-2,4,6-trien-2-amine?
The InChIKey is MCCUBCFWZZMZJQ-YDFGWWAZSA-N. The full InChI is InChI=1S/C7H9F2N/c1-3-6(8)4-7(9)5(2)10/h3-4H,1,10H2,2H3/b6-4+,7-5+.
What are the key properties of (2E,4E)-3,5-difluorohepta-2,4,6-trien-2-amine?
(2E,4E)-3,5-difluorohepta-2,4,6-trien-2-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 (2E,4E)-3,5-difluorohepta-2,4,6-trien-2-amine is sourced from PubChem (CID 122599448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).