1-ethyl-2,6-difluorocyclohexa-1,3-diene

C8H10F2 — CID 91510667

IUPAC1-ethyl-2,6-difluorocyclohexa-1,3-diene
SMILESCCC1=C(F)C=CCC1F
InChIInChI=1S/C8H10F2/c1-2-6-7(9)4-3-5-8(6)10/h3-4,8H,2,5H2,1H3
InChIKeyHVOZEKHNFMMXLW-UHFFFAOYSA-N
MW144.16 g/mol
LogP2.92
Rot. Bonds1

About 1-ethyl-2,6-difluorocyclohexa-1,3-diene

1-ethyl-2,6-difluorocyclohexa-1,3-diene (PubChem CID 91510667) has the molecular formula C8H10F2 and a molecular weight of 144.16 g/mol. Its IUPAC name is 1-ethyl-2,6-difluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethyl-2,6-difluorocyclohexa-1,3-diene
PubChem CID91510667
Molecular FormulaC8H10F2
Molecular Weight144.16 g/mol
Exact Mass144.08
IUPAC Name1-ethyl-2,6-difluorocyclohexa-1,3-diene
SMILESCCC1=C(F)C=CCC1F
InChIInChI=1S/C8H10F2/c1-2-6-7(9)4-3-5-8(6)10/h3-4,8H,2,5H2,1H3
InChIKeyHVOZEKHNFMMXLW-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,6-trifluorocyclohexa-1,3-diene
CID 66828021
(1R)-2-(tert-butylamino)-1-(2,3-difluorocyclohexa-1,5-dien-1-yl)ethanol
CID 170317612
3-ethyl-4-fluorocyclohepta-1,3,5-triene
CID 123732021
1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium
CID 178170510
1,2-difluoro-6-methoxycyclohexa-1,3-diene
CID 177218199
6-chloro-2-ethylcyclohexa-1,3-diene
CID 70372426
N'-[N'-(2,6-difluorocyclohexa-1,3-dien-1-yl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 163679215
2-fluoro-6-methylcyclohexa-1,3-diene
CID 19795139
2-ethyl-4-methylcyclohepta-2,6-dien-1-imine
CID 123572930
2,3,5,6-tetraethylbicyclo[2.2.1]hepta-2,5-diene
CID 59476061
2-ethyl-1-fluorocyclohexa-1,3-diene
CID 19009785
2-(difluoromethyl)-1-ethylcyclohexa-1,3-diene
CID 178056899

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,6-difluorocyclohexa-1,3-diene?
The IUPAC name of 1-ethyl-2,6-difluorocyclohexa-1,3-diene (CID 91510667) is 1-ethyl-2,6-difluorocyclohexa-1,3-diene.
What is the SMILES notation for 1-ethyl-2,6-difluorocyclohexa-1,3-diene?
The canonical SMILES for 1-ethyl-2,6-difluorocyclohexa-1,3-diene is CCC1=C(F)C=CCC1F.
What is the InChIKey of 1-ethyl-2,6-difluorocyclohexa-1,3-diene?
The InChIKey is HVOZEKHNFMMXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2/c1-2-6-7(9)4-3-5-8(6)10/h3-4,8H,2,5H2,1H3.
What are the key properties of 1-ethyl-2,6-difluorocyclohexa-1,3-diene?
1-ethyl-2,6-difluorocyclohexa-1,3-diene has a molecular weight of 144.16 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,6-difluorocyclohexa-1,3-diene is sourced from PubChem (CID 91510667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).