2-(4-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-4-(chloromethyl)-1,3-oxazole

C10H8Cl2FNO — CID 163565289

IUPAC2-(4-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-4-(chloromethyl)-1,3-oxazole
SMILESFC1=C(Cl)C=CC(c2nc(CCl)co2)C1
InChIInChI=1S/C10H8Cl2FNO/c11-4-7-5-15-10(14-7)6-1-2-8(12)9(13)3-6/h1-2,5-6H,3-4H2
InChIKeyFUQYDILRYZFYDV-UHFFFAOYSA-N
MW248.08 g/mol
LogP3.88
Rot. Bonds2

About 2-(4-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-4-(chloromethyl)-1,3-oxazole

2-(4-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-4-(chloromethyl)-1,3-oxazole (PubChem CID 163565289) has the molecular formula C10H8Cl2FNO and a molecular weight of 248.08 g/mol. Its IUPAC name is 2-(4-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-4-(chloromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-4-(chloromethyl)-1,3-oxazole
PubChem CID163565289
Molecular FormulaC10H8Cl2FNO
Molecular Weight248.08 g/mol
Exact Mass247.00
IUPAC Name2-(4-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-4-(chloromethyl)-1,3-oxazole
SMILESFC1=C(Cl)C=CC(c2nc(CCl)co2)C1
InChIInChI=1S/C10H8Cl2FNO/c11-4-7-5-15-10(14-7)6-1-2-8(12)9(13)3-6/h1-2,5-6H,3-4H2
InChIKeyFUQYDILRYZFYDV-UHFFFAOYSA-N
XLogP3.88
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Chloromethyl)-2-(6-fluoro-4a,5-dihydronaphthalen-2-yl)-1,3-oxazole
CID 123823650
2-(4-Fluorocyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carbonitrile
CID 143939081
2-Cyclohexa-2,4-dien-1-yl-4-methyl-1,3-oxazole
CID 148136605
4-(Chloromethyl)-2-cyclopent-3-en-1-yl-1,3-oxazole
CID 152045465
2-(Butan-2-YL)-4-(chloromethyl)-1,3-oxazole
CID 15726803
4-(Chloromethyl)-2-(2-methylpropyl)-1,3-oxazole
CID 82125146

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-4-(chloromethyl)-1,3-oxazole?
The IUPAC name of 2-(4-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-4-(chloromethyl)-1,3-oxazole (CID 163565289) is 2-(4-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-4-(chloromethyl)-1,3-oxazole.
What is the SMILES notation for 2-(4-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-4-(chloromethyl)-1,3-oxazole?
The canonical SMILES for 2-(4-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-4-(chloromethyl)-1,3-oxazole is FC1=C(Cl)C=CC(c2nc(CCl)co2)C1.
What is the InChIKey of 2-(4-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-4-(chloromethyl)-1,3-oxazole?
The InChIKey is FUQYDILRYZFYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2FNO/c11-4-7-5-15-10(14-7)6-1-2-8(12)9(13)3-6/h1-2,5-6H,3-4H2.
What are the key properties of 2-(4-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-4-(chloromethyl)-1,3-oxazole?
2-(4-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-4-(chloromethyl)-1,3-oxazole has a molecular weight of 248.08 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-4-(chloromethyl)-1,3-oxazole is sourced from PubChem (CID 163565289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).