N-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine

C7H9FIN — CID 88579421

IUPACN-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(C)\C=C(\I)CF
InChIInChI=1S/C7H9FIN/c1-6(5-10-2)3-7(9)4-8/h3,5H,2,4H2,1H3/b6-5-,7-3+
InChIKeyCGPMFAXOEVXPLR-KQVMHNMJSA-N
MW253.06 g/mol
LogP2.88
Rot. Bonds3

About N-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine

N-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine (PubChem CID 88579421) has the molecular formula C7H9FIN and a molecular weight of 253.06 g/mol. Its IUPAC name is N-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine
PubChem CID88579421
Molecular FormulaC7H9FIN
Molecular Weight253.06 g/mol
Exact Mass252.98
IUPAC NameN-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(C)\C=C(\I)CF
InChIInChI=1S/C7H9FIN/c1-6(5-10-2)3-7(9)4-8/h3,5H,2,4H2,1H3/b6-5-,7-3+
InChIKeyCGPMFAXOEVXPLR-KQVMHNMJSA-N
XLogP2.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.06
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5E)-N,N,3,5-tetramethyl-6-(methylideneamino)hexa-1,3,5-trien-2-amine
CID 178005265
N-[(1Z,3E)-2-methylpenta-1,3-dienyl]methanimine
CID 89119181
ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine
CID 143747590
(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine
CID 142103381
ethane;(Z)-2-methyl-N'-methylideneprop-2-ene-1,3-diimine
CID 144508821
N-[(E)-2-fluorobut-1-enyl]methanimine
CID 134191875
N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine
CID 154931880
4-fluoro-3-iodobut-2-enehydrazide
CID 87653913
N-[(E)-2-methylpent-1-enyl]methanimine
CID 142044769
(Z)-N,2-dimethyl-3-(methylideneamino)prop-2-en-1-amine
CID 139514431
3-methyl-4-(methylideneamino)but-3-en-2-one
CID 123257729
(2E,4E)-4-chloro-5-(methylideneamino)penta-2,4-dien-2-amine
CID 138700894

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine (CID 88579421) is N-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine is C=N/C=C(C)\C=C(\I)CF.
What is the InChIKey of N-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine?
The InChIKey is CGPMFAXOEVXPLR-KQVMHNMJSA-N. The full InChI is InChI=1S/C7H9FIN/c1-6(5-10-2)3-7(9)4-8/h3,5H,2,4H2,1H3/b6-5-,7-3+.
What are the key properties of N-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine?
N-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine has a molecular weight of 253.06 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 88579421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).