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

C7H9F2N — CID 142820920

IUPAC(3E)-3,5-difluoro-N-methylhexa-1,3,5-trien-2-amine
SMILESC=C(F)/C=C(/F)C(=C)NC
InChIInChI=1S/C7H9F2N/c1-5(8)4-7(9)6(2)10-3/h4,10H,1-2H2,3H3/b7-4+
InChIKeyIHIQHOHXYFICHO-QPJJXVBHSA-N
MW145.15 g/mol
LogP2.06
Rot. Bonds3

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

(3E)-3,5-difluoro-N-methylhexa-1,3,5-trien-2-amine (PubChem CID 142820920) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is (3E)-3,5-difluoro-N-methylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-3,5-difluoro-N-methylhexa-1,3,5-trien-2-amine
PubChem CID142820920
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name(3E)-3,5-difluoro-N-methylhexa-1,3,5-trien-2-amine
SMILESC=C(F)/C=C(/F)C(=C)NC
InChIInChI=1S/C7H9F2N/c1-5(8)4-7(9)6(2)10-3/h4,10H,1-2H2,3H3/b7-4+
InChIKeyIHIQHOHXYFICHO-QPJJXVBHSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 52.06
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 (3E)-3,5-difluoro-N-methylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3E)-3,5-difluoro-N-methylhexa-1,3,5-trien-2-amine (CID 142820920) is (3E)-3,5-difluoro-N-methylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-3,5-difluoro-N-methylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-3,5-difluoro-N-methylhexa-1,3,5-trien-2-amine is C=C(F)/C=C(/F)C(=C)NC.
What is the InChIKey of (3E)-3,5-difluoro-N-methylhexa-1,3,5-trien-2-amine?
The InChIKey is IHIQHOHXYFICHO-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H9F2N/c1-5(8)4-7(9)6(2)10-3/h4,10H,1-2H2,3H3/b7-4+.
What are the key properties of (3E)-3,5-difluoro-N-methylhexa-1,3,5-trien-2-amine?
(3E)-3,5-difluoro-N-methylhexa-1,3,5-trien-2-amine has a molecular weight of 145.15 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3,5-difluoro-N-methylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 142820920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).