(3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene

C8H9FI2 — CID 167239057

IUPAC(3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene
SMILESC=C/C=C(\C=C/C)C(F)(I)I
InChIInChI=1S/C8H9FI2/c1-3-5-7(6-4-2)8(9,10)11/h3-6H,1H2,2H3/b6-4-,7-5+
InChIKeyNYADTTHQUDDDJW-XGXWUAJZSA-N
MW377.97 g/mol
LogP4.17
Rot. Bonds3

About (3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene

(3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene (PubChem CID 167239057) has the molecular formula C8H9FI2 and a molecular weight of 377.97 g/mol. Its IUPAC name is (3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene
PubChem CID167239057
Molecular FormulaC8H9FI2
Molecular Weight377.97 g/mol
Exact Mass377.88
IUPAC Name(3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene
SMILESC=C/C=C(\C=C/C)C(F)(I)I
InChIInChI=1S/C8H9FI2/c1-3-5-7(6-4-2)8(9,10)11/h3-6H,1H2,2H3/b6-4-,7-5+
InChIKeyNYADTTHQUDDDJW-XGXWUAJZSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.97
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene
CID 145162819
[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane
CID 166918085
(5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine
CID 177001360
ethane;(5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine
CID 177001359
(3E)-2,2-dimethyl-N-oxo-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide
CID 143141302
ethane;[(3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 142223865
ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene
CID 144657278
(4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene
CID 146353509
(3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene
CID 143216884
(3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene
CID 21336128
(3E,5Z)-N-iodohepta-1,3,5-trien-4-amine
CID 144727165
ethane;(3E,6E,7Z)-6-ethylidene-5-ethynyl-4-[(Z)-prop-1-enyl]deca-1,3,7,9-tetraen-5-ol
CID 143661428

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene?
The IUPAC name of (3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene (CID 167239057) is (3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene is C=C/C=C(\C=C/C)C(F)(I)I.
What is the InChIKey of (3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene?
The InChIKey is NYADTTHQUDDDJW-XGXWUAJZSA-N. The full InChI is InChI=1S/C8H9FI2/c1-3-5-7(6-4-2)8(9,10)11/h3-6H,1H2,2H3/b6-4-,7-5+.
What are the key properties of (3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene?
(3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene has a molecular weight of 377.97 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene is sourced from PubChem (CID 167239057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).