(3E)-2,5-difluorohexa-1,3,5-trien-3-amine

C6H7F2N — CID 143077726

IUPAC(3E)-2,5-difluorohexa-1,3,5-trien-3-amine
SMILESC=C(F)/C=C(/N)C(=C)F
InChIInChI=1S/C6H7F2N/c1-4(7)3-6(9)5(2)8/h3H,1-2,9H2/b6-3+
InChIKeyZBPZNRIHGFCEIX-ZZXKWVIFSA-N
MW131.12 g/mol
LogP1.80
Rot. Bonds2

About (3E)-2,5-difluorohexa-1,3,5-trien-3-amine

(3E)-2,5-difluorohexa-1,3,5-trien-3-amine (PubChem CID 143077726) has the molecular formula C6H7F2N and a molecular weight of 131.12 g/mol. Its IUPAC name is (3E)-2,5-difluorohexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E)-2,5-difluorohexa-1,3,5-trien-3-amine
PubChem CID143077726
Molecular FormulaC6H7F2N
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC Name(3E)-2,5-difluorohexa-1,3,5-trien-3-amine
SMILESC=C(F)/C=C(/N)C(=C)F
InChIInChI=1S/C6H7F2N/c1-4(7)3-6(9)5(2)8/h3H,1-2,9H2/b6-3+
InChIKeyZBPZNRIHGFCEIX-ZZXKWVIFSA-N
XLogP1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.12
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-5-fluoro-3-methoxyhexa-1,3,5-trien-2-amine
CID 146382961
(3E,5Z)-7-chloro-2-fluorohepta-1,3,5-trien-4-amine
CID 170368180
(2E)-2-ethyl-4-fluoropenta-2,4-dienamide
CID 170178694
(3Z)-4-ethyl-2-fluorohexa-1,3,5-triene
CID 142052803
2-fluorobuta-1,3-diene
CID 551655
(3E,5E)-2,4,6-trifluorohepta-1,3,5-triene
CID 118964187
(3E)-2,4-difluorohexa-1,3,5-triene;zinc
CID 166121313
(2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine
CID 144654304
1,1-difluoroethene;hydroxylamine
CID 171932245
(3E)-3-ethoxy-5-fluoro-2-methylhexa-1,3,5-triene
CID 143876439
2-fluoro-4-methylpenta-1,3-dien-3-amine
CID 162681971
2-fluoroprop-2-enylidenehydrazine
CID 152758537

Frequently Asked Questions

What is the IUPAC name of (3E)-2,5-difluorohexa-1,3,5-trien-3-amine?
The IUPAC name of (3E)-2,5-difluorohexa-1,3,5-trien-3-amine (CID 143077726) is (3E)-2,5-difluorohexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3E)-2,5-difluorohexa-1,3,5-trien-3-amine?
The canonical SMILES for (3E)-2,5-difluorohexa-1,3,5-trien-3-amine is C=C(F)/C=C(/N)C(=C)F.
What is the InChIKey of (3E)-2,5-difluorohexa-1,3,5-trien-3-amine?
The InChIKey is ZBPZNRIHGFCEIX-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H7F2N/c1-4(7)3-6(9)5(2)8/h3H,1-2,9H2/b6-3+.
What are the key properties of (3E)-2,5-difluorohexa-1,3,5-trien-3-amine?
(3E)-2,5-difluorohexa-1,3,5-trien-3-amine has a molecular weight of 131.12 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,5-difluorohexa-1,3,5-trien-3-amine is sourced from PubChem (CID 143077726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).