1-fluoro-4-[3-(methoxymethyl)-1-methylcyclobutyl]-2-methylbenzene

C14H19FO — CID 90706733

IUPAC1-fluoro-4-[3-(methoxymethyl)-1-methylcyclobutyl]-2-methylbenzene
SMILESCOCC1CC(C)(c2ccc(F)c(C)c2)C1
InChIInChI=1S/C14H19FO/c1-10-6-12(4-5-13(10)15)14(2)7-11(8-14)9-16-3/h4-6,11H,7-9H2,1-3H3
InChIKeyXDKGFHZJHNVEAC-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.45
Rot. Bonds3

About 1-fluoro-4-[3-(methoxymethyl)-1-methylcyclobutyl]-2-methylbenzene

1-fluoro-4-[3-(methoxymethyl)-1-methylcyclobutyl]-2-methylbenzene (PubChem CID 90706733) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 1-fluoro-4-[3-(methoxymethyl)-1-methylcyclobutyl]-2-methylbenzene.

Molecular Properties

Compound Name1-fluoro-4-[3-(methoxymethyl)-1-methylcyclobutyl]-2-methylbenzene
PubChem CID90706733
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name1-fluoro-4-[3-(methoxymethyl)-1-methylcyclobutyl]-2-methylbenzene
SMILESCOCC1CC(C)(c2ccc(F)c(C)c2)C1
InChIInChI=1S/C14H19FO/c1-10-6-12(4-5-13(10)15)14(2)7-11(8-14)9-16-3/h4-6,11H,7-9H2,1-3H3
InChIKeyXDKGFHZJHNVEAC-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[3-(methoxymethyl)-1-methylcyclobutyl]-2-methylbenzene?
The IUPAC name of 1-fluoro-4-[3-(methoxymethyl)-1-methylcyclobutyl]-2-methylbenzene (CID 90706733) is 1-fluoro-4-[3-(methoxymethyl)-1-methylcyclobutyl]-2-methylbenzene.
What is the SMILES notation for 1-fluoro-4-[3-(methoxymethyl)-1-methylcyclobutyl]-2-methylbenzene?
The canonical SMILES for 1-fluoro-4-[3-(methoxymethyl)-1-methylcyclobutyl]-2-methylbenzene is COCC1CC(C)(c2ccc(F)c(C)c2)C1.
What is the InChIKey of 1-fluoro-4-[3-(methoxymethyl)-1-methylcyclobutyl]-2-methylbenzene?
The InChIKey is XDKGFHZJHNVEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-10-6-12(4-5-13(10)15)14(2)7-11(8-14)9-16-3/h4-6,11H,7-9H2,1-3H3.
What are the key properties of 1-fluoro-4-[3-(methoxymethyl)-1-methylcyclobutyl]-2-methylbenzene?
1-fluoro-4-[3-(methoxymethyl)-1-methylcyclobutyl]-2-methylbenzene has a molecular weight of 222.30 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[3-(methoxymethyl)-1-methylcyclobutyl]-2-methylbenzene is sourced from PubChem (CID 90706733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).