4-ethyl-1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene

C10H15FO — CID 167208204

IUPAC4-ethyl-1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene
SMILESCCC1=CC(OC)=C(F)C(C)C1
InChIInChI=1S/C10H15FO/c1-4-8-5-7(2)10(11)9(6-8)12-3/h6-7H,4-5H2,1-3H3
InChIKeyLTPMVZNKDQJZAK-UHFFFAOYSA-N
MW170.23 g/mol
LogP3.19
Rot. Bonds2

About 4-ethyl-1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene

4-ethyl-1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene (PubChem CID 167208204) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is 4-ethyl-1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name4-ethyl-1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene
PubChem CID167208204
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name4-ethyl-1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene
SMILESCCC1=CC(OC)=C(F)C(C)C1
InChIInChI=1S/C10H15FO/c1-4-8-5-7(2)10(11)9(6-8)12-3/h6-7H,4-5H2,1-3H3
InChIKeyLTPMVZNKDQJZAK-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene?
The IUPAC name of 4-ethyl-1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene (CID 167208204) is 4-ethyl-1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for 4-ethyl-1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene?
The canonical SMILES for 4-ethyl-1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene is CCC1=CC(OC)=C(F)C(C)C1.
What is the InChIKey of 4-ethyl-1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene?
The InChIKey is LTPMVZNKDQJZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO/c1-4-8-5-7(2)10(11)9(6-8)12-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-ethyl-1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene?
4-ethyl-1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene has a molecular weight of 170.23 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-fluoro-2-methoxy-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 167208204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).