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

C8H11F — CID 21076807

IUPAC1-ethyl-4-fluorocyclohexa-1,3-diene
SMILESCCC1=CC=C(F)CC1
InChIInChI=1S/C8H11F/c1-2-7-3-5-8(9)6-4-7/h3,5H,2,4,6H2,1H3
InChIKeyLDBLVEONFVORSB-UHFFFAOYSA-N
MW126.17 g/mol
LogP2.97
Rot. Bonds1

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

1-ethyl-4-fluorocyclohexa-1,3-diene (PubChem CID 21076807) has the molecular formula C8H11F and a molecular weight of 126.17 g/mol. Its IUPAC name is 1-ethyl-4-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethyl-4-fluorocyclohexa-1,3-diene
PubChem CID21076807
Molecular FormulaC8H11F
Molecular Weight126.17 g/mol
Exact Mass126.08
IUPAC Name1-ethyl-4-fluorocyclohexa-1,3-diene
SMILESCCC1=CC=C(F)CC1
InChIInChI=1S/C8H11F/c1-2-7-3-5-8(9)6-4-7/h3,5H,2,4,6H2,1H3
InChIKeyLDBLVEONFVORSB-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.17
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluorocyclohexa-1,3-diene?
The IUPAC name of 1-ethyl-4-fluorocyclohexa-1,3-diene (CID 21076807) is 1-ethyl-4-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 1-ethyl-4-fluorocyclohexa-1,3-diene?
The canonical SMILES for 1-ethyl-4-fluorocyclohexa-1,3-diene is CCC1=CC=C(F)CC1.
What is the InChIKey of 1-ethyl-4-fluorocyclohexa-1,3-diene?
The InChIKey is LDBLVEONFVORSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F/c1-2-7-3-5-8(9)6-4-7/h3,5H,2,4,6H2,1H3.
What are the key properties of 1-ethyl-4-fluorocyclohexa-1,3-diene?
1-ethyl-4-fluorocyclohexa-1,3-diene has a molecular weight of 126.17 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 21076807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).