4-chloro-1-ethyl-2-fluorocyclohexa-1,3-diene

C8H10ClF — CID 123572246

IUPAC4-chloro-1-ethyl-2-fluorocyclohexa-1,3-diene
SMILESCCC1=C(F)C=C(Cl)CC1
InChIInChI=1S/C8H10ClF/c1-2-6-3-4-7(9)5-8(6)10/h5H,2-4H2,1H3
InChIKeyGUNHBTMTPFRQOX-UHFFFAOYSA-N
MW160.62 g/mol
LogP3.54
Rot. Bonds1

About 4-chloro-1-ethyl-2-fluorocyclohexa-1,3-diene

4-chloro-1-ethyl-2-fluorocyclohexa-1,3-diene (PubChem CID 123572246) has the molecular formula C8H10ClF and a molecular weight of 160.62 g/mol. Its IUPAC name is 4-chloro-1-ethyl-2-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name4-chloro-1-ethyl-2-fluorocyclohexa-1,3-diene
PubChem CID123572246
Molecular FormulaC8H10ClF
Molecular Weight160.62 g/mol
Exact Mass160.05
IUPAC Name4-chloro-1-ethyl-2-fluorocyclohexa-1,3-diene
SMILESCCC1=C(F)C=C(Cl)CC1
InChIInChI=1S/C8H10ClF/c1-2-6-3-4-7(9)5-8(6)10/h5H,2-4H2,1H3
InChIKeyGUNHBTMTPFRQOX-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.62
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 23247410
1-(1-Chlorovinyl)cyclohexene
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1-Chloro-5-fluoro-2-methylcyclohexa-1,3-diene
CID 17994374
1-Chloro-3-fluoro-2-methylcyclohexa-1,3-diene
CID 19097573
1-Ethyl-4-fluorocyclohexa-1,3-diene
CID 21076807
2-Fluoro-1,4-dimethylcyclohexa-1,3-diene
CID 21431358
2-Chloro-4-fluoro-1-methylcyclohexa-1,3-diene
CID 54377644
5-chloro-1-fluoro-4H-indene
CID 57286153
4-Chloro-5-fluoro-1-methylcyclohexa-1,3-diene
CID 66792374
5-Chloro-6-fluoro-1,4-dimethylcyclohexa-1,3-diene
CID 68010480
5-Fluoro-1,4-dimethylcyclohexa-1,3-diene
CID 68010880

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-2-fluorocyclohexa-1,3-diene?
The IUPAC name of 4-chloro-1-ethyl-2-fluorocyclohexa-1,3-diene (CID 123572246) is 4-chloro-1-ethyl-2-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 4-chloro-1-ethyl-2-fluorocyclohexa-1,3-diene?
The canonical SMILES for 4-chloro-1-ethyl-2-fluorocyclohexa-1,3-diene is CCC1=C(F)C=C(Cl)CC1.
What is the InChIKey of 4-chloro-1-ethyl-2-fluorocyclohexa-1,3-diene?
The InChIKey is GUNHBTMTPFRQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF/c1-2-6-3-4-7(9)5-8(6)10/h5H,2-4H2,1H3.
What are the key properties of 4-chloro-1-ethyl-2-fluorocyclohexa-1,3-diene?
4-chloro-1-ethyl-2-fluorocyclohexa-1,3-diene has a molecular weight of 160.62 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-2-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 123572246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).