1-chloro-2-ethyl-5-fluorocycloocta-1,3,5-triene

C10H12ClF — CID 91382609

IUPAC1-chloro-2-ethyl-5-fluorocycloocta-1,3,5-triene
SMILESCCC1=C(Cl)CCC=C(F)C=C1
InChIInChI=1S/C10H12ClF/c1-2-8-6-7-9(12)4-3-5-10(8)11/h4,6-7H,2-3,5H2,1H3
InChIKeyNIFKQNLAOCQKRL-UHFFFAOYSA-N
MW186.66 g/mol
LogP4.09
Rot. Bonds1

About 1-chloro-2-ethyl-5-fluorocycloocta-1,3,5-triene

1-chloro-2-ethyl-5-fluorocycloocta-1,3,5-triene (PubChem CID 91382609) has the molecular formula C10H12ClF and a molecular weight of 186.66 g/mol. Its IUPAC name is 1-chloro-2-ethyl-5-fluorocycloocta-1,3,5-triene.

Molecular Properties

Compound Name1-chloro-2-ethyl-5-fluorocycloocta-1,3,5-triene
PubChem CID91382609
Molecular FormulaC10H12ClF
Molecular Weight186.66 g/mol
Exact Mass186.06
IUPAC Name1-chloro-2-ethyl-5-fluorocycloocta-1,3,5-triene
SMILESCCC1=C(Cl)CCC=C(F)C=C1
InChIInChI=1S/C10H12ClF/c1-2-8-6-7-9(12)4-3-5-10(8)11/h4,6-7H,2-3,5H2,1H3
InChIKeyNIFKQNLAOCQKRL-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Chloro-5-fluoro-2-methylcyclohexa-1,3-diene
CID 17994374
1-Chloro-3-fluoro-2-methylcyclohexa-1,3-diene
CID 19097573
4-Chloro-5-fluoro-1-methylcyclohexa-1,3-diene
CID 66792374
1-Chloro-7-fluoro-4,5-dimethylcyclohepta-1,3,5-triene
CID 68267650
(1Z,3Z,5Z)-2-chloro-1-fluoro-4-methylhepta-1,3,5-triene
CID 87152714
(3Z,5E)-4-chloro-3-fluoro-6-methylocta-1,3,5-triene
CID 88067913
(3Z,5Z)-3-chloro-4-fluoronona-1,3,5-triene
CID 88067990
(2Z,4E)-5-(chloromethyl)-6-fluorohepta-2,4-diene
CID 88262685
(3E,5Z)-3-chloro-2-fluoro-5-methylhepta-1,3,5-triene
CID 88967136
(3Z,5E)-7-chloro-4-ethyl-6-fluorohepta-1,3,5-triene
CID 88967187
(3E,5Z)-2-chloro-3-fluoro-5-methylocta-1,3,5-triene
CID 88967190
(3E,5Z)-2-chloro-4-fluoro-5-methylocta-1,3,5-triene
CID 88967247

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethyl-5-fluorocycloocta-1,3,5-triene?
The IUPAC name of 1-chloro-2-ethyl-5-fluorocycloocta-1,3,5-triene (CID 91382609) is 1-chloro-2-ethyl-5-fluorocycloocta-1,3,5-triene.
What is the SMILES notation for 1-chloro-2-ethyl-5-fluorocycloocta-1,3,5-triene?
The canonical SMILES for 1-chloro-2-ethyl-5-fluorocycloocta-1,3,5-triene is CCC1=C(Cl)CCC=C(F)C=C1.
What is the InChIKey of 1-chloro-2-ethyl-5-fluorocycloocta-1,3,5-triene?
The InChIKey is NIFKQNLAOCQKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF/c1-2-8-6-7-9(12)4-3-5-10(8)11/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 1-chloro-2-ethyl-5-fluorocycloocta-1,3,5-triene?
1-chloro-2-ethyl-5-fluorocycloocta-1,3,5-triene has a molecular weight of 186.66 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethyl-5-fluorocycloocta-1,3,5-triene is sourced from PubChem (CID 91382609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).