(3E)-6,6-difluoro-5-methyliminohexa-1,3-dien-3-amine

C7H10F2N2 — CID 145084196

IUPAC(3E)-6,6-difluoro-5-methyliminohexa-1,3-dien-3-amine
SMILESC=C/C(N)=C\C(=N\C)C(F)F
InChIInChI=1S/C7H10F2N2/c1-3-5(10)4-6(11-2)7(8)9/h3-4,7H,1,10H2,2H3/b5-4+,11-6-
InChIKeyQZEVLPVBYBNQRV-QTJNYWJXSA-N
MW160.17 g/mol
LogP1.35
Rot. Bonds3

About (3E)-6,6-difluoro-5-methyliminohexa-1,3-dien-3-amine

(3E)-6,6-difluoro-5-methyliminohexa-1,3-dien-3-amine (PubChem CID 145084196) has the molecular formula C7H10F2N2 and a molecular weight of 160.17 g/mol. Its IUPAC name is (3E)-6,6-difluoro-5-methyliminohexa-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-6,6-difluoro-5-methyliminohexa-1,3-dien-3-amine
PubChem CID145084196
Molecular FormulaC7H10F2N2
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name(3E)-6,6-difluoro-5-methyliminohexa-1,3-dien-3-amine
SMILESC=C/C(N)=C\C(=N\C)C(F)F
InChIInChI=1S/C7H10F2N2/c1-3-5(10)4-6(11-2)7(8)9/h3-4,7H,1,10H2,2H3/b5-4+,11-6-
InChIKeyQZEVLPVBYBNQRV-QTJNYWJXSA-N
XLogP1.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-6,6-difluoro-5-methyliminohexa-1,3-dien-3-amine?
The IUPAC name of (3E)-6,6-difluoro-5-methyliminohexa-1,3-dien-3-amine (CID 145084196) is (3E)-6,6-difluoro-5-methyliminohexa-1,3-dien-3-amine.
What is the SMILES notation for (3E)-6,6-difluoro-5-methyliminohexa-1,3-dien-3-amine?
The canonical SMILES for (3E)-6,6-difluoro-5-methyliminohexa-1,3-dien-3-amine is C=C/C(N)=C\C(=N\C)C(F)F.
What is the InChIKey of (3E)-6,6-difluoro-5-methyliminohexa-1,3-dien-3-amine?
The InChIKey is QZEVLPVBYBNQRV-QTJNYWJXSA-N. The full InChI is InChI=1S/C7H10F2N2/c1-3-5(10)4-6(11-2)7(8)9/h3-4,7H,1,10H2,2H3/b5-4+,11-6-.
What are the key properties of (3E)-6,6-difluoro-5-methyliminohexa-1,3-dien-3-amine?
(3E)-6,6-difluoro-5-methyliminohexa-1,3-dien-3-amine has a molecular weight of 160.17 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6,6-difluoro-5-methyliminohexa-1,3-dien-3-amine is sourced from PubChem (CID 145084196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).