(2E,4E)-5-fluorohepta-2,4,6-trien-2-amine

C7H10FN — CID 89259791

IUPAC(2E,4E)-5-fluorohepta-2,4,6-trien-2-amine
SMILESC=C/C(F)=C\C=C(/C)N
InChIInChI=1S/C7H10FN/c1-3-7(8)5-4-6(2)9/h3-5H,1,9H2,2H3/b6-4+,7-5+
InChIKeyHITRTUYCNQLFEV-YDFGWWAZSA-N
MW127.16 g/mol
LogP1.89
Rot. Bonds2

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

(2E,4E)-5-fluorohepta-2,4,6-trien-2-amine (PubChem CID 89259791) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (2E,4E)-5-fluorohepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E)-5-fluorohepta-2,4,6-trien-2-amine
PubChem CID89259791
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(2E,4E)-5-fluorohepta-2,4,6-trien-2-amine
SMILESC=C/C(F)=C\C=C(/C)N
InChIInChI=1S/C7H10FN/c1-3-7(8)5-4-6(2)9/h3-5H,1,9H2,2H3/b6-4+,7-5+
InChIKeyHITRTUYCNQLFEV-YDFGWWAZSA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.89
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)-3-fluorohexa-1,3,5-trien-2-amine
CID 88544925
(3E,5E)-5-fluoroocta-3,5,7-trien-3-amine
CID 88905364
(2Z,4Z)-6-fluorohexa-2,4-diene-2,3-diamine
CID 88908044
(3Z,5E)-5-fluorohepta-1,3,5-trien-2-amine
CID 88936391
(2Z,4Z)-5-fluoropenta-2,4-dien-2-amine
CID 89029579
(2E,4E)-5,6-difluorohexa-2,4-dien-2-amine
CID 89073850
(3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine
CID 89074081
(2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine
CID 89076302
(2E,4E,6E)-7-fluoro-5-iodoocta-2,4,6-trien-2-amine
CID 89112659
(2E,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-amine
CID 89153748
(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-amine
CID 89189499
(3E,5E)-6-fluorohexa-3,5-dien-3-amine
CID 89259713

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-fluorohepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E)-5-fluorohepta-2,4,6-trien-2-amine (CID 89259791) is (2E,4E)-5-fluorohepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E)-5-fluorohepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E)-5-fluorohepta-2,4,6-trien-2-amine is C=C/C(F)=C\C=C(/C)N.
What is the InChIKey of (2E,4E)-5-fluorohepta-2,4,6-trien-2-amine?
The InChIKey is HITRTUYCNQLFEV-YDFGWWAZSA-N. The full InChI is InChI=1S/C7H10FN/c1-3-7(8)5-4-6(2)9/h3-5H,1,9H2,2H3/b6-4+,7-5+.
What are the key properties of (2E,4E)-5-fluorohepta-2,4,6-trien-2-amine?
(2E,4E)-5-fluorohepta-2,4,6-trien-2-amine has a molecular weight of 127.16 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-fluorohepta-2,4,6-trien-2-amine is sourced from PubChem (CID 89259791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).