1-ethyl-2,3,6-trifluoro-4,5-dimethylcyclohexa-1,3-diene

C10H13F3 — CID 89330622

IUPAC1-ethyl-2,3,6-trifluoro-4,5-dimethylcyclohexa-1,3-diene
SMILESCCC1=C(F)C(F)=C(C)C(C)C1F
InChIInChI=1S/C10H13F3/c1-4-7-8(11)5(2)6(3)9(12)10(7)13/h5,8H,4H2,1-3H3
InChIKeyNSDWXUMNKKFUSP-UHFFFAOYSA-N
MW190.21 g/mol
LogP3.85
Rot. Bonds1

About 1-ethyl-2,3,6-trifluoro-4,5-dimethylcyclohexa-1,3-diene

1-ethyl-2,3,6-trifluoro-4,5-dimethylcyclohexa-1,3-diene (PubChem CID 89330622) has the molecular formula C10H13F3 and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-ethyl-2,3,6-trifluoro-4,5-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethyl-2,3,6-trifluoro-4,5-dimethylcyclohexa-1,3-diene
PubChem CID89330622
Molecular FormulaC10H13F3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name1-ethyl-2,3,6-trifluoro-4,5-dimethylcyclohexa-1,3-diene
SMILESCCC1=C(F)C(F)=C(C)C(C)C1F
InChIInChI=1S/C10H13F3/c1-4-7-8(11)5(2)6(3)9(12)10(7)13/h5,8H,4H2,1-3H3
InChIKeyNSDWXUMNKKFUSP-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,6-trifluoro-4,5-dimethylcyclohexa-1,3-diene?
The IUPAC name of 1-ethyl-2,3,6-trifluoro-4,5-dimethylcyclohexa-1,3-diene (CID 89330622) is 1-ethyl-2,3,6-trifluoro-4,5-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 1-ethyl-2,3,6-trifluoro-4,5-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 1-ethyl-2,3,6-trifluoro-4,5-dimethylcyclohexa-1,3-diene is CCC1=C(F)C(F)=C(C)C(C)C1F.
What is the InChIKey of 1-ethyl-2,3,6-trifluoro-4,5-dimethylcyclohexa-1,3-diene?
The InChIKey is NSDWXUMNKKFUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3/c1-4-7-8(11)5(2)6(3)9(12)10(7)13/h5,8H,4H2,1-3H3.
What are the key properties of 1-ethyl-2,3,6-trifluoro-4,5-dimethylcyclohexa-1,3-diene?
1-ethyl-2,3,6-trifluoro-4,5-dimethylcyclohexa-1,3-diene has a molecular weight of 190.21 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,6-trifluoro-4,5-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 89330622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).