2,4-dichloro-1-fluorocyclohexa-1,3-diene

C6H5Cl2F — CID 70326512

IUPAC2,4-dichloro-1-fluorocyclohexa-1,3-diene
SMILESFC1=C(Cl)C=C(Cl)CC1
InChIInChI=1S/C6H5Cl2F/c7-4-1-2-6(9)5(8)3-4/h3H,1-2H2
InChIKeyHNOFHIMSFMFTII-UHFFFAOYSA-N
MW167.01 g/mol
LogP3.32
Rot. Bonds

About 2,4-dichloro-1-fluorocyclohexa-1,3-diene

2,4-dichloro-1-fluorocyclohexa-1,3-diene (PubChem CID 70326512) has the molecular formula C6H5Cl2F and a molecular weight of 167.01 g/mol. Its IUPAC name is 2,4-dichloro-1-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name2,4-dichloro-1-fluorocyclohexa-1,3-diene
PubChem CID70326512
Molecular FormulaC6H5Cl2F
Molecular Weight167.01 g/mol
Exact Mass165.98
IUPAC Name2,4-dichloro-1-fluorocyclohexa-1,3-diene
SMILESFC1=C(Cl)C=C(Cl)CC1
InChIInChI=1S/C6H5Cl2F/c7-4-1-2-6(9)5(8)3-4/h3H,1-2H2
InChIKeyHNOFHIMSFMFTII-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.01
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Dichlorocyclohexadiene
CID 12809304
1,3-Dichlorocyclohexadiene
CID 21289273
Trichlorocyclohexadiene
CID 21482673
3-Chloro-1,5-difluorocyclohexa-1,3-diene
CID 17949369
1,5-Dichloro-3-fluorocyclohexa-1,3-diene
CID 19695661
1-Chloro-2-fluorocyclohexa-1,3-diene
CID 20321633
1,5-Dichloro-5-fluorocyclohexa-1,3-diene
CID 21655639
5-Chloro-5-fluorocyclohexa-1,3-diene
CID 21844842
2-Chloro-1-fluorocyclohexa-1,3-diene
CID 21958886
6-Chloro-1,2,6-trifluorocyclohexa-1,3-diene
CID 21975987
2-Chloro-3-fluorocyclohexa-1,3-diene
CID 22076051
1-Chloro-5-fluorocyclohexa-1,3-diene
CID 22618260

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-fluorocyclohexa-1,3-diene?
The IUPAC name of 2,4-dichloro-1-fluorocyclohexa-1,3-diene (CID 70326512) is 2,4-dichloro-1-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 2,4-dichloro-1-fluorocyclohexa-1,3-diene?
The canonical SMILES for 2,4-dichloro-1-fluorocyclohexa-1,3-diene is FC1=C(Cl)C=C(Cl)CC1.
What is the InChIKey of 2,4-dichloro-1-fluorocyclohexa-1,3-diene?
The InChIKey is HNOFHIMSFMFTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2F/c7-4-1-2-6(9)5(8)3-4/h3H,1-2H2.
What are the key properties of 2,4-dichloro-1-fluorocyclohexa-1,3-diene?
2,4-dichloro-1-fluorocyclohexa-1,3-diene has a molecular weight of 167.01 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 70326512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).