6-chloro-4-fluorobicyclo[4.1.0]hepta-1,3-diene-7-carbonyl chloride

C8H5Cl2FO — CID 87205930

IUPAC6-chloro-4-fluorobicyclo[4.1.0]hepta-1,3-diene-7-carbonyl chloride
SMILESO=C(Cl)C1C2=CC=C(F)CC21Cl
InChIInChI=1S/C8H5Cl2FO/c9-7(12)6-5-2-1-4(11)3-8(5,6)10/h1-2,6H,3H2
InChIKeyCCUZUFLMXCKIMG-UHFFFAOYSA-N
MW207.03 g/mol
LogP2.54
Rot. Bonds1

About 6-chloro-4-fluorobicyclo[4.1.0]hepta-1,3-diene-7-carbonyl chloride

6-chloro-4-fluorobicyclo[4.1.0]hepta-1,3-diene-7-carbonyl chloride (PubChem CID 87205930) has the molecular formula C8H5Cl2FO and a molecular weight of 207.03 g/mol. Its IUPAC name is 6-chloro-4-fluorobicyclo[4.1.0]hepta-1,3-diene-7-carbonyl chloride.

Molecular Properties

Compound Name6-chloro-4-fluorobicyclo[4.1.0]hepta-1,3-diene-7-carbonyl chloride
PubChem CID87205930
Molecular FormulaC8H5Cl2FO
Molecular Weight207.03 g/mol
Exact Mass205.97
IUPAC Name6-chloro-4-fluorobicyclo[4.1.0]hepta-1,3-diene-7-carbonyl chloride
SMILESO=C(Cl)C1C2=CC=C(F)CC21Cl
InChIInChI=1S/C8H5Cl2FO/c9-7(12)6-5-2-1-4(11)3-8(5,6)10/h1-2,6H,3H2
InChIKeyCCUZUFLMXCKIMG-UHFFFAOYSA-N
XLogP2.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.03
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,6-Difluorobicyclo[4.1.0]hepta-1,3-diene-7-carbonyl chloride
CID 87205951
1-Fluoro-2,5-dimethylcyclohexa-2,4-diene-1-carbonyl chloride
CID 88504228
3-(4-Fluorocyclohexa-2,4-dien-1-yl)propanoyl chloride
CID 132059333
3-(5-Fluorocyclohexa-2,4-dien-1-yl)propanoyl chloride
CID 132059344
4,6-Dichlorobicyclo[4.1.0]hepta-1,3-diene-7-carbonyl chloride
CID 87205958
Bicyclo[5.1.0]octa-2,4-diene-8-carbonyl chloride
CID 45081414

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-fluorobicyclo[4.1.0]hepta-1,3-diene-7-carbonyl chloride?
The IUPAC name of 6-chloro-4-fluorobicyclo[4.1.0]hepta-1,3-diene-7-carbonyl chloride (CID 87205930) is 6-chloro-4-fluorobicyclo[4.1.0]hepta-1,3-diene-7-carbonyl chloride.
What is the SMILES notation for 6-chloro-4-fluorobicyclo[4.1.0]hepta-1,3-diene-7-carbonyl chloride?
The canonical SMILES for 6-chloro-4-fluorobicyclo[4.1.0]hepta-1,3-diene-7-carbonyl chloride is O=C(Cl)C1C2=CC=C(F)CC21Cl.
What is the InChIKey of 6-chloro-4-fluorobicyclo[4.1.0]hepta-1,3-diene-7-carbonyl chloride?
The InChIKey is CCUZUFLMXCKIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2FO/c9-7(12)6-5-2-1-4(11)3-8(5,6)10/h1-2,6H,3H2.
What are the key properties of 6-chloro-4-fluorobicyclo[4.1.0]hepta-1,3-diene-7-carbonyl chloride?
6-chloro-4-fluorobicyclo[4.1.0]hepta-1,3-diene-7-carbonyl chloride has a molecular weight of 207.03 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-fluorobicyclo[4.1.0]hepta-1,3-diene-7-carbonyl chloride is sourced from PubChem (CID 87205930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).