4-chloro-6-fluoro-2-iodo-6-methylcyclohexa-2,4-dien-1-amine

C7H8ClFIN — CID 153223261

IUPAC4-chloro-6-fluoro-2-iodo-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1(F)C=C(Cl)C=C(I)C1N
InChIInChI=1S/C7H8ClFIN/c1-7(9)3-4(8)2-5(10)6(7)11/h2-3,6H,11H2,1H3
InChIKeyWOCHAPOIDVTOIY-UHFFFAOYSA-N
MW287.50 g/mol
LogP2.50
Rot. Bonds

About 4-chloro-6-fluoro-2-iodo-6-methylcyclohexa-2,4-dien-1-amine

4-chloro-6-fluoro-2-iodo-6-methylcyclohexa-2,4-dien-1-amine (PubChem CID 153223261) has the molecular formula C7H8ClFIN and a molecular weight of 287.50 g/mol. Its IUPAC name is 4-chloro-6-fluoro-2-iodo-6-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-chloro-6-fluoro-2-iodo-6-methylcyclohexa-2,4-dien-1-amine
PubChem CID153223261
Molecular FormulaC7H8ClFIN
Molecular Weight287.50 g/mol
Exact Mass286.94
IUPAC Name4-chloro-6-fluoro-2-iodo-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1(F)C=C(Cl)C=C(I)C1N
InChIInChI=1S/C7H8ClFIN/c1-7(9)3-4(8)2-5(10)6(7)11/h2-3,6H,11H2,1H3
InChIKeyWOCHAPOIDVTOIY-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.50
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-2-iodo-6-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-chloro-6-fluoro-2-iodo-6-methylcyclohexa-2,4-dien-1-amine (CID 153223261) is 4-chloro-6-fluoro-2-iodo-6-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-chloro-6-fluoro-2-iodo-6-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-chloro-6-fluoro-2-iodo-6-methylcyclohexa-2,4-dien-1-amine is CC1(F)C=C(Cl)C=C(I)C1N.
What is the InChIKey of 4-chloro-6-fluoro-2-iodo-6-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is WOCHAPOIDVTOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFIN/c1-7(9)3-4(8)2-5(10)6(7)11/h2-3,6H,11H2,1H3.
What are the key properties of 4-chloro-6-fluoro-2-iodo-6-methylcyclohexa-2,4-dien-1-amine?
4-chloro-6-fluoro-2-iodo-6-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 287.50 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-2-iodo-6-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 153223261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).