(6R)-2-fluoro-5-(iodomethyl)-6-methylcyclohexa-1,3-diene

C8H10FI — CID 67991635

IUPAC(6R)-2-fluoro-5-(iodomethyl)-6-methylcyclohexa-1,3-diene
SMILESC[C@@H]1C=C(F)C=CC1CI
InChIInChI=1S/C8H10FI/c1-6-4-8(9)3-2-7(6)5-10/h2-4,6-7H,5H2,1H3/t6-,7?/m1/s1
InChIKeyWPJZWCSSTGFCOI-ULUSZKPHSA-N
MW252.07 g/mol
LogP3.10
Rot. Bonds1

About (6R)-2-fluoro-5-(iodomethyl)-6-methylcyclohexa-1,3-diene

(6R)-2-fluoro-5-(iodomethyl)-6-methylcyclohexa-1,3-diene (PubChem CID 67991635) has the molecular formula C8H10FI and a molecular weight of 252.07 g/mol. Its IUPAC name is (6R)-2-fluoro-5-(iodomethyl)-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(6R)-2-fluoro-5-(iodomethyl)-6-methylcyclohexa-1,3-diene
PubChem CID67991635
Molecular FormulaC8H10FI
Molecular Weight252.07 g/mol
Exact Mass251.98
IUPAC Name(6R)-2-fluoro-5-(iodomethyl)-6-methylcyclohexa-1,3-diene
SMILESC[C@@H]1C=C(F)C=CC1CI
InChIInChI=1S/C8H10FI/c1-6-4-8(9)3-2-7(6)5-10/h2-4,6-7H,5H2,1H3/t6-,7?/m1/s1
InChIKeyWPJZWCSSTGFCOI-ULUSZKPHSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 53.10
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'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-fluoro-5-(iodomethyl)-6-methylcyclohexa-1,3-diene?
The IUPAC name of (6R)-2-fluoro-5-(iodomethyl)-6-methylcyclohexa-1,3-diene (CID 67991635) is (6R)-2-fluoro-5-(iodomethyl)-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for (6R)-2-fluoro-5-(iodomethyl)-6-methylcyclohexa-1,3-diene?
The canonical SMILES for (6R)-2-fluoro-5-(iodomethyl)-6-methylcyclohexa-1,3-diene is C[C@@H]1C=C(F)C=CC1CI.
What is the InChIKey of (6R)-2-fluoro-5-(iodomethyl)-6-methylcyclohexa-1,3-diene?
The InChIKey is WPJZWCSSTGFCOI-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H10FI/c1-6-4-8(9)3-2-7(6)5-10/h2-4,6-7H,5H2,1H3/t6-,7?/m1/s1.
What are the key properties of (6R)-2-fluoro-5-(iodomethyl)-6-methylcyclohexa-1,3-diene?
(6R)-2-fluoro-5-(iodomethyl)-6-methylcyclohexa-1,3-diene has a molecular weight of 252.07 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-fluoro-5-(iodomethyl)-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 67991635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).