5-(2-fluoroethoxy)-2-propan-2-ylcyclohexa-1,3-diene

C11H17FO — CID 134376300

IUPAC5-(2-fluoroethoxy)-2-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1=CCC(OCCF)C=C1
InChIInChI=1S/C11H17FO/c1-9(2)10-3-5-11(6-4-10)13-8-7-12/h3-5,9,11H,6-8H2,1-2H3
InChIKeySNCBCAJAXFXCCL-UHFFFAOYSA-N
MW184.25 g/mol
LogP2.88
Rot. Bonds4

About 5-(2-fluoroethoxy)-2-propan-2-ylcyclohexa-1,3-diene

5-(2-fluoroethoxy)-2-propan-2-ylcyclohexa-1,3-diene (PubChem CID 134376300) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is 5-(2-fluoroethoxy)-2-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(2-fluoroethoxy)-2-propan-2-ylcyclohexa-1,3-diene
PubChem CID134376300
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name5-(2-fluoroethoxy)-2-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1=CCC(OCCF)C=C1
InChIInChI=1S/C11H17FO/c1-9(2)10-3-5-11(6-4-10)13-8-7-12/h3-5,9,11H,6-8H2,1-2H3
InChIKeySNCBCAJAXFXCCL-UHFFFAOYSA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethoxy)-2-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 5-(2-fluoroethoxy)-2-propan-2-ylcyclohexa-1,3-diene (CID 134376300) is 5-(2-fluoroethoxy)-2-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 5-(2-fluoroethoxy)-2-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 5-(2-fluoroethoxy)-2-propan-2-ylcyclohexa-1,3-diene is CC(C)C1=CCC(OCCF)C=C1.
What is the InChIKey of 5-(2-fluoroethoxy)-2-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is SNCBCAJAXFXCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO/c1-9(2)10-3-5-11(6-4-10)13-8-7-12/h3-5,9,11H,6-8H2,1-2H3.
What are the key properties of 5-(2-fluoroethoxy)-2-propan-2-ylcyclohexa-1,3-diene?
5-(2-fluoroethoxy)-2-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 184.25 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethoxy)-2-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 134376300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).