1-fluoro-3-(3-methylcyclobutyl)oxybenzene

C11H13FO — CID 142422559

IUPAC1-fluoro-3-(3-methylcyclobutyl)oxybenzene
SMILESCC1CC(Oc2cccc(F)c2)C1
InChIInChI=1S/C11H13FO/c1-8-5-11(6-8)13-10-4-2-3-9(12)7-10/h2-4,7-8,11H,5-6H2,1H3
InChIKeyZJTXXFONAYDISO-UHFFFAOYSA-N
MW180.22 g/mol
LogP3.00
Rot. Bonds2

About 1-fluoro-3-(3-methylcyclobutyl)oxybenzene

1-fluoro-3-(3-methylcyclobutyl)oxybenzene (PubChem CID 142422559) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 1-fluoro-3-(3-methylcyclobutyl)oxybenzene.

Molecular Properties

Compound Name1-fluoro-3-(3-methylcyclobutyl)oxybenzene
PubChem CID142422559
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name1-fluoro-3-(3-methylcyclobutyl)oxybenzene
SMILESCC1CC(Oc2cccc(F)c2)C1
InChIInChI=1S/C11H13FO/c1-8-5-11(6-8)13-10-4-2-3-9(12)7-10/h2-4,7-8,11H,5-6H2,1H3
InChIKeyZJTXXFONAYDISO-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(3-methylcyclobutyl)oxybenzene?
The IUPAC name of 1-fluoro-3-(3-methylcyclobutyl)oxybenzene (CID 142422559) is 1-fluoro-3-(3-methylcyclobutyl)oxybenzene.
What is the SMILES notation for 1-fluoro-3-(3-methylcyclobutyl)oxybenzene?
The canonical SMILES for 1-fluoro-3-(3-methylcyclobutyl)oxybenzene is CC1CC(Oc2cccc(F)c2)C1.
What is the InChIKey of 1-fluoro-3-(3-methylcyclobutyl)oxybenzene?
The InChIKey is ZJTXXFONAYDISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-8-5-11(6-8)13-10-4-2-3-9(12)7-10/h2-4,7-8,11H,5-6H2,1H3.
What are the key properties of 1-fluoro-3-(3-methylcyclobutyl)oxybenzene?
1-fluoro-3-(3-methylcyclobutyl)oxybenzene has a molecular weight of 180.22 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(3-methylcyclobutyl)oxybenzene is sourced from PubChem (CID 142422559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).