(4R,5R)-4-fluoro-5-iodocyclohexene

C6H8FI — CID 14894475

IUPAC(4R,5R)-4-fluoro-5-iodocyclohexene
SMILESF[C@@H]1CC=CC[C@H]1I
InChIInChI=1S/C6H8FI/c7-5-3-1-2-4-6(5)8/h1-2,5-6H,3-4H2/t5-,6-/m1/s1
InChIKeyDUJWCXFSCZUBDH-PHDIDXHHSA-N
MW226.03 g/mol
LogP2.48
Rot. Bonds

About (4R,5R)-4-fluoro-5-iodocyclohexene

(4R,5R)-4-fluoro-5-iodocyclohexene (PubChem CID 14894475) has the molecular formula C6H8FI and a molecular weight of 226.03 g/mol. Its IUPAC name is (4R,5R)-4-fluoro-5-iodocyclohexene.

Molecular Properties

Compound Name(4R,5R)-4-fluoro-5-iodocyclohexene
PubChem CID14894475
Molecular FormulaC6H8FI
Molecular Weight226.03 g/mol
Exact Mass225.97
IUPAC Name(4R,5R)-4-fluoro-5-iodocyclohexene
SMILESF[C@@H]1CC=CC[C@H]1I
InChIInChI=1S/C6H8FI/c7-5-3-1-2-4-6(5)8/h1-2,5-6H,3-4H2/t5-,6-/m1/s1
InChIKeyDUJWCXFSCZUBDH-PHDIDXHHSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.03
LogP ≤ 52.48
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Iodocyclohexene
CID 519429
1-Fluorocyclohexene
CID 11182579
3-Fluorocyclohex-1-ene
CID 13406511
(3S)-3-fluorocyclohexene
CID 102264245
3-Iodocyclohexene
CID 527572
Cyclohexene, 4-iodo
CID 527574
4-Fluorocyclohexene
CID 22378589
(3S)-3-iodocyclohexene
CID 68342991
(3R)-3-iodocyclohexene
CID 89360336
4,4-Difluoro-1-iodocyclohex-1-ene
CID 72218528
(4R)-4-fluorocyclohexene
CID 89377747
4-Fluoro-3-iodocyclohexene
CID 89671862

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-fluoro-5-iodocyclohexene?
The IUPAC name of (4R,5R)-4-fluoro-5-iodocyclohexene (CID 14894475) is (4R,5R)-4-fluoro-5-iodocyclohexene.
What is the SMILES notation for (4R,5R)-4-fluoro-5-iodocyclohexene?
The canonical SMILES for (4R,5R)-4-fluoro-5-iodocyclohexene is F[C@@H]1CC=CC[C@H]1I.
What is the InChIKey of (4R,5R)-4-fluoro-5-iodocyclohexene?
The InChIKey is DUJWCXFSCZUBDH-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H8FI/c7-5-3-1-2-4-6(5)8/h1-2,5-6H,3-4H2/t5-,6-/m1/s1.
What are the key properties of (4R,5R)-4-fluoro-5-iodocyclohexene?
(4R,5R)-4-fluoro-5-iodocyclohexene has a molecular weight of 226.03 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-fluoro-5-iodocyclohexene is sourced from PubChem (CID 14894475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).