cyclobutyl-[4-(difluoromethoxy)phenyl]methanone

C12H12F2O2 — CID 115811389

IUPACcyclobutyl-[4-(difluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)F)cc1)C1CCC1
InChIInChI=1S/C12H12F2O2/c13-12(14)16-10-6-4-9(5-7-10)11(15)8-2-1-3-8/h4-8,12H,1-3H2
InChIKeyNLDBXGUEEPEIEU-UHFFFAOYSA-N
MW226.22 g/mol
LogP3.27
Rot. Bonds4

About cyclobutyl-[4-(difluoromethoxy)phenyl]methanone

cyclobutyl-[4-(difluoromethoxy)phenyl]methanone (PubChem CID 115811389) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is cyclobutyl-[4-(difluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(difluoromethoxy)phenyl]methanone
PubChem CID115811389
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Namecyclobutyl-[4-(difluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)F)cc1)C1CCC1
InChIInChI=1S/C12H12F2O2/c13-12(14)16-10-6-4-9(5-7-10)11(15)8-2-1-3-8/h4-8,12H,1-3H2
InChIKeyNLDBXGUEEPEIEU-UHFFFAOYSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(difluoromethoxy)phenyl]-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171940404
(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 63390547
[4-(difluoromethoxy)phenyl]-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171940416
(4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65424083
cyclohexyl-[4-(trifluoromethoxy)phenyl]methanone
CID 114962182
[1-[4-(difluoromethoxy)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026644
N-cyclohexyl-4-(difluoromethoxy)-N-ethylbenzamide
CID 78805547
N-(2-chlorocyclopentyl)-4-(difluoromethoxy)benzamide
CID 106443998
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate
CID 2356812
[3-(difluoromethoxy)phenyl]-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171940487
3-amino-N-[4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119676533
3-cyclopropyl-2-[4-(difluoromethoxy)phenyl]-3-oxopropanenitrile
CID 43156910

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(difluoromethoxy)phenyl]methanone?
The IUPAC name of cyclobutyl-[4-(difluoromethoxy)phenyl]methanone (CID 115811389) is cyclobutyl-[4-(difluoromethoxy)phenyl]methanone.
What is the SMILES notation for cyclobutyl-[4-(difluoromethoxy)phenyl]methanone?
The canonical SMILES for cyclobutyl-[4-(difluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)F)cc1)C1CCC1.
What is the InChIKey of cyclobutyl-[4-(difluoromethoxy)phenyl]methanone?
The InChIKey is NLDBXGUEEPEIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c13-12(14)16-10-6-4-9(5-7-10)11(15)8-2-1-3-8/h4-8,12H,1-3H2.
What are the key properties of cyclobutyl-[4-(difluoromethoxy)phenyl]methanone?
cyclobutyl-[4-(difluoromethoxy)phenyl]methanone has a molecular weight of 226.22 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(difluoromethoxy)phenyl]methanone is sourced from PubChem (CID 115811389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).