4-ethyl-1-fluoro-2-propan-2-yloxycyclohexa-1,3-diene

C11H17FO — CID 143587769

IUPAC4-ethyl-1-fluoro-2-propan-2-yloxycyclohexa-1,3-diene
SMILESCCC1=CC(OC(C)C)=C(F)CC1
InChIInChI=1S/C11H17FO/c1-4-9-5-6-10(12)11(7-9)13-8(2)3/h7-8H,4-6H2,1-3H3
InChIKeyJUGNDURLUIXANZ-UHFFFAOYSA-N
MW184.25 g/mol
LogP3.72
Rot. Bonds3

About 4-ethyl-1-fluoro-2-propan-2-yloxycyclohexa-1,3-diene

4-ethyl-1-fluoro-2-propan-2-yloxycyclohexa-1,3-diene (PubChem CID 143587769) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is 4-ethyl-1-fluoro-2-propan-2-yloxycyclohexa-1,3-diene.

Molecular Properties

Compound Name4-ethyl-1-fluoro-2-propan-2-yloxycyclohexa-1,3-diene
PubChem CID143587769
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name4-ethyl-1-fluoro-2-propan-2-yloxycyclohexa-1,3-diene
SMILESCCC1=CC(OC(C)C)=C(F)CC1
InChIInChI=1S/C11H17FO/c1-4-9-5-6-10(12)11(7-9)13-8(2)3/h7-8H,4-6H2,1-3H3
InChIKeyJUGNDURLUIXANZ-UHFFFAOYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 53.72
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-propan-2-yloxycyclohexa-1,3-diene?
The IUPAC name of 4-ethyl-1-fluoro-2-propan-2-yloxycyclohexa-1,3-diene (CID 143587769) is 4-ethyl-1-fluoro-2-propan-2-yloxycyclohexa-1,3-diene.
What is the SMILES notation for 4-ethyl-1-fluoro-2-propan-2-yloxycyclohexa-1,3-diene?
The canonical SMILES for 4-ethyl-1-fluoro-2-propan-2-yloxycyclohexa-1,3-diene is CCC1=CC(OC(C)C)=C(F)CC1.
What is the InChIKey of 4-ethyl-1-fluoro-2-propan-2-yloxycyclohexa-1,3-diene?
The InChIKey is JUGNDURLUIXANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO/c1-4-9-5-6-10(12)11(7-9)13-8(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-ethyl-1-fluoro-2-propan-2-yloxycyclohexa-1,3-diene?
4-ethyl-1-fluoro-2-propan-2-yloxycyclohexa-1,3-diene has a molecular weight of 184.25 g/mol, XLogP of 3.72, 3 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-propan-2-yloxycyclohexa-1,3-diene is sourced from PubChem (CID 143587769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).