1-ethyl-2,4-difluorocyclohexa-1,3-diene

C8H10F2 — CID 142010109

IUPAC1-ethyl-2,4-difluorocyclohexa-1,3-diene
SMILESCCC1=C(F)C=C(F)CC1
InChIInChI=1S/C8H10F2/c1-2-6-3-4-7(9)5-8(6)10/h5H,2-4H2,1H3
InChIKeyRJGLDLGPQCFSHV-UHFFFAOYSA-N
MW144.16 g/mol
LogP3.27
Rot. Bonds1

About 1-ethyl-2,4-difluorocyclohexa-1,3-diene

1-ethyl-2,4-difluorocyclohexa-1,3-diene (PubChem CID 142010109) has the molecular formula C8H10F2 and a molecular weight of 144.16 g/mol. Its IUPAC name is 1-ethyl-2,4-difluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethyl-2,4-difluorocyclohexa-1,3-diene
PubChem CID142010109
Molecular FormulaC8H10F2
Molecular Weight144.16 g/mol
Exact Mass144.08
IUPAC Name1-ethyl-2,4-difluorocyclohexa-1,3-diene
SMILESCCC1=C(F)C=C(F)CC1
InChIInChI=1S/C8H10F2/c1-2-6-3-4-7(9)5-8(6)10/h5H,2-4H2,1H3
InChIKeyRJGLDLGPQCFSHV-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium
CID 178170510
2,4-dichloro-1-ethylcyclohexa-1,3-diene
CID 19096890
1-fluoro-4-propylcyclohexa-1,3-diene
CID 89167431
4-bromo-1-ethyl-2-methylcyclohexa-1,3-diene
CID 144960407
3,4-diethylcyclohexa-1,3-dien-1-amine
CID 143938092
4-ethyl-N-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
CID 134549872
N-(2,4-difluorocyclohexa-1,3-dien-1-yl)-2-methylpropanamide
CID 167041815
2-chloro-1-ethyl-4-methoxycyclohexa-1,3-diene
CID 142915949
2,4-difluoro-1-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]cyclohexa-1,3-diene
CID 142964428
1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene
CID 139929594
6-ethyl-3-fluoro-5-methyl-1,2-dihydropyridine
CID 173055770
4,5-diethyl-1,1-dimethyl-2,3-dihydrostannole
CID 10868993

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4-difluorocyclohexa-1,3-diene?
The IUPAC name of 1-ethyl-2,4-difluorocyclohexa-1,3-diene (CID 142010109) is 1-ethyl-2,4-difluorocyclohexa-1,3-diene.
What is the SMILES notation for 1-ethyl-2,4-difluorocyclohexa-1,3-diene?
The canonical SMILES for 1-ethyl-2,4-difluorocyclohexa-1,3-diene is CCC1=C(F)C=C(F)CC1.
What is the InChIKey of 1-ethyl-2,4-difluorocyclohexa-1,3-diene?
The InChIKey is RJGLDLGPQCFSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2/c1-2-6-3-4-7(9)5-8(6)10/h5H,2-4H2,1H3.
What are the key properties of 1-ethyl-2,4-difluorocyclohexa-1,3-diene?
1-ethyl-2,4-difluorocyclohexa-1,3-diene has a molecular weight of 144.16 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4-difluorocyclohexa-1,3-diene is sourced from PubChem (CID 142010109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).