3-fluoro-1-[(1-methylcyclopropyl)methoxy]cyclohexa-1,3-diene

C11H15FO — CID 173485583

IUPAC3-fluoro-1-[(1-methylcyclopropyl)methoxy]cyclohexa-1,3-diene
SMILESCC1(COC2=CC(F)=CCC2)CC1
InChIInChI=1S/C11H15FO/c1-11(5-6-11)8-13-10-4-2-3-9(12)7-10/h3,7H,2,4-6,8H2,1H3
InChIKeyGPZRDYROQINPIG-UHFFFAOYSA-N
MW182.24 g/mol
LogP3.33
Rot. Bonds3

About 3-fluoro-1-[(1-methylcyclopropyl)methoxy]cyclohexa-1,3-diene

3-fluoro-1-[(1-methylcyclopropyl)methoxy]cyclohexa-1,3-diene (PubChem CID 173485583) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 3-fluoro-1-[(1-methylcyclopropyl)methoxy]cyclohexa-1,3-diene.

Molecular Properties

Compound Name3-fluoro-1-[(1-methylcyclopropyl)methoxy]cyclohexa-1,3-diene
PubChem CID173485583
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name3-fluoro-1-[(1-methylcyclopropyl)methoxy]cyclohexa-1,3-diene
SMILESCC1(COC2=CC(F)=CCC2)CC1
InChIInChI=1S/C11H15FO/c1-11(5-6-11)8-13-10-4-2-3-9(12)7-10/h3,7H,2,4-6,8H2,1H3
InChIKeyGPZRDYROQINPIG-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[(1-methylcyclopropyl)methoxy]cyclohexa-1,3-diene?
The IUPAC name of 3-fluoro-1-[(1-methylcyclopropyl)methoxy]cyclohexa-1,3-diene (CID 173485583) is 3-fluoro-1-[(1-methylcyclopropyl)methoxy]cyclohexa-1,3-diene.
What is the SMILES notation for 3-fluoro-1-[(1-methylcyclopropyl)methoxy]cyclohexa-1,3-diene?
The canonical SMILES for 3-fluoro-1-[(1-methylcyclopropyl)methoxy]cyclohexa-1,3-diene is CC1(COC2=CC(F)=CCC2)CC1.
What is the InChIKey of 3-fluoro-1-[(1-methylcyclopropyl)methoxy]cyclohexa-1,3-diene?
The InChIKey is GPZRDYROQINPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-11(5-6-11)8-13-10-4-2-3-9(12)7-10/h3,7H,2,4-6,8H2,1H3.
What are the key properties of 3-fluoro-1-[(1-methylcyclopropyl)methoxy]cyclohexa-1,3-diene?
3-fluoro-1-[(1-methylcyclopropyl)methoxy]cyclohexa-1,3-diene has a molecular weight of 182.24 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[(1-methylcyclopropyl)methoxy]cyclohexa-1,3-diene is sourced from PubChem (CID 173485583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).