(3,3-difluoroazetidin-1-yl)-(3-methyloxetan-3-yl)methanone

C8H11F2NO2 — CID 126999557

IUPAC(3,3-difluoroazetidin-1-yl)-(3-methyloxetan-3-yl)methanone
SMILESCC1(C(=O)N2CC(F)(F)C2)COC1
InChIInChI=1S/C8H11F2NO2/c1-7(4-13-5-7)6(12)11-2-8(9,10)3-11/h2-5H2,1H3
InChIKeySCINVYSMHGSMDF-UHFFFAOYSA-N
MW191.18 g/mol
LogP0.50
Rot. Bonds1

About (3,3-difluoroazetidin-1-yl)-(3-methyloxetan-3-yl)methanone

(3,3-difluoroazetidin-1-yl)-(3-methyloxetan-3-yl)methanone (PubChem CID 126999557) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-(3-methyloxetan-3-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-(3-methyloxetan-3-yl)methanone
PubChem CID126999557
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name(3,3-difluoroazetidin-1-yl)-(3-methyloxetan-3-yl)methanone
SMILESCC1(C(=O)N2CC(F)(F)C2)COC1
InChIInChI=1S/C8H11F2NO2/c1-7(4-13-5-7)6(12)11-2-8(9,10)3-11/h2-5H2,1H3
InChIKeySCINVYSMHGSMDF-UHFFFAOYSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-difluoro-1-methylcyclobutyl)-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;ethane
CID 142295206
2-methyl-1-(3-methyloxetan-3-yl)propan-1-one
CID 67476798
1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 58026223
1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 127809345
[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-(2,2,5-trimethyl-1,3-dioxan-5-yl)methanone
CID 75396486
(3-methyloxolan-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 170181641
[2-(fluoromethyl)pyrrolidin-1-yl]-(3-methyloxetan-3-yl)methanone
CID 126768755
(3,3-difluoropiperidin-1-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116991523
6,6-difluoro-N-methyl-1,4-oxazepane-4-carboxamide
CID 131159734
1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one
CID 126989694
[4-(N-ethyl-C-methylcarbonimidoyl)-3-propan-2-ylidenepiperazin-1-yl]-(3-methyloxetan-3-yl)methanone
CID 135159606
methane;methyl 3-methyloxetane-3-carboxylate
CID 167597787

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-(3-methyloxetan-3-yl)methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-(3-methyloxetan-3-yl)methanone (CID 126999557) is (3,3-difluoroazetidin-1-yl)-(3-methyloxetan-3-yl)methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-(3-methyloxetan-3-yl)methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-(3-methyloxetan-3-yl)methanone is CC1(C(=O)N2CC(F)(F)C2)COC1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-(3-methyloxetan-3-yl)methanone?
The InChIKey is SCINVYSMHGSMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO2/c1-7(4-13-5-7)6(12)11-2-8(9,10)3-11/h2-5H2,1H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-(3-methyloxetan-3-yl)methanone?
(3,3-difluoroazetidin-1-yl)-(3-methyloxetan-3-yl)methanone has a molecular weight of 191.18 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-(3-methyloxetan-3-yl)methanone is sourced from PubChem (CID 126999557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).