(3,3-difluorocyclobutyl)oxymethylbenzene

C11H12F2O — CID 22500952

IUPAC(3,3-difluorocyclobutyl)oxymethylbenzene
SMILESFC1(F)CC(OCc2ccccc2)C1
InChIInChI=1S/C11H12F2O/c12-11(13)6-10(7-11)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyFAMVCMFMKPHCPH-UHFFFAOYSA-N
MW198.21 g/mol
LogP3.00
Rot. Bonds3

About (3,3-difluorocyclobutyl)oxymethylbenzene

(3,3-difluorocyclobutyl)oxymethylbenzene (PubChem CID 22500952) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)oxymethylbenzene.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)oxymethylbenzene
PubChem CID22500952
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name(3,3-difluorocyclobutyl)oxymethylbenzene
SMILESFC1(F)CC(OCc2ccccc2)C1
InChIInChI=1S/C11H12F2O/c12-11(13)6-10(7-11)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyFAMVCMFMKPHCPH-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)oxymethylbenzene?
The IUPAC name of (3,3-difluorocyclobutyl)oxymethylbenzene (CID 22500952) is (3,3-difluorocyclobutyl)oxymethylbenzene.
What is the SMILES notation for (3,3-difluorocyclobutyl)oxymethylbenzene?
The canonical SMILES for (3,3-difluorocyclobutyl)oxymethylbenzene is FC1(F)CC(OCc2ccccc2)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)oxymethylbenzene?
The InChIKey is FAMVCMFMKPHCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c12-11(13)6-10(7-11)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of (3,3-difluorocyclobutyl)oxymethylbenzene?
(3,3-difluorocyclobutyl)oxymethylbenzene has a molecular weight of 198.21 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)oxymethylbenzene is sourced from PubChem (CID 22500952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).