(2Z,4Z)-3-fluoro-N-iodohexa-2,4-dien-2-amine

C6H9FIN — CID 134365828

IUPAC(2Z,4Z)-3-fluoro-N-iodohexa-2,4-dien-2-amine
SMILESC/C=C\C(F)=C(/C)NI
InChIInChI=1S/C6H9FIN/c1-3-4-6(7)5(2)9-8/h3-4,9H,1-2H3/b4-3-,6-5-
InChIKeyMVFBXMLTBLUVBD-OUPQRBNQSA-N
MW241.05 g/mol
LogP2.70
Rot. Bonds2

About (2Z,4Z)-3-fluoro-N-iodohexa-2,4-dien-2-amine

(2Z,4Z)-3-fluoro-N-iodohexa-2,4-dien-2-amine (PubChem CID 134365828) has the molecular formula C6H9FIN and a molecular weight of 241.05 g/mol. Its IUPAC name is (2Z,4Z)-3-fluoro-N-iodohexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-3-fluoro-N-iodohexa-2,4-dien-2-amine
PubChem CID134365828
Molecular FormulaC6H9FIN
Molecular Weight241.05 g/mol
Exact Mass240.98
IUPAC Name(2Z,4Z)-3-fluoro-N-iodohexa-2,4-dien-2-amine
SMILESC/C=C\C(F)=C(/C)NI
InChIInChI=1S/C6H9FIN/c1-3-4-6(7)5(2)9-8/h3-4,9H,1-2H3/b4-3-,6-5-
InChIKeyMVFBXMLTBLUVBD-OUPQRBNQSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.05
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(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,6E)-7-fluoro-5-iodoocta-2,4,6-trien-2-amine
CID 89112659
(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-amine
CID 89189499
(2E,4E)-5-fluorohepta-2,4,6-trien-2-amine
CID 89259791
(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-amine
CID 89308011
(2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine
CID 89336329
(2E,4E)-5-fluorohexa-2,4-dien-2-amine
CID 89336345
(2E)-3-fluoropenta-2,4-dien-2-amine
CID 89416500

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-fluoro-N-iodohexa-2,4-dien-2-amine?
The IUPAC name of (2Z,4Z)-3-fluoro-N-iodohexa-2,4-dien-2-amine (CID 134365828) is (2Z,4Z)-3-fluoro-N-iodohexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4Z)-3-fluoro-N-iodohexa-2,4-dien-2-amine?
The canonical SMILES for (2Z,4Z)-3-fluoro-N-iodohexa-2,4-dien-2-amine is C/C=C\C(F)=C(/C)NI.
What is the InChIKey of (2Z,4Z)-3-fluoro-N-iodohexa-2,4-dien-2-amine?
The InChIKey is MVFBXMLTBLUVBD-OUPQRBNQSA-N. The full InChI is InChI=1S/C6H9FIN/c1-3-4-6(7)5(2)9-8/h3-4,9H,1-2H3/b4-3-,6-5-.
What are the key properties of (2Z,4Z)-3-fluoro-N-iodohexa-2,4-dien-2-amine?
(2Z,4Z)-3-fluoro-N-iodohexa-2,4-dien-2-amine has a molecular weight of 241.05 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-fluoro-N-iodohexa-2,4-dien-2-amine is sourced from PubChem (CID 134365828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).