1-cyclobutyl-3-(difluoromethoxy)pyrrolidine

C9H15F2NO — CID 130874922

IUPAC1-cyclobutyl-3-(difluoromethoxy)pyrrolidine
SMILESFC(F)OC1CCN(C2CCC2)C1
InChIInChI=1S/C9H15F2NO/c10-9(11)13-8-4-5-12(6-8)7-2-1-3-7/h7-9H,1-6H2
InChIKeyLVNREDRMKDJSET-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.85
Rot. Bonds3

About 1-cyclobutyl-3-(difluoromethoxy)pyrrolidine

1-cyclobutyl-3-(difluoromethoxy)pyrrolidine (PubChem CID 130874922) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 1-cyclobutyl-3-(difluoromethoxy)pyrrolidine.

Molecular Properties

Compound Name1-cyclobutyl-3-(difluoromethoxy)pyrrolidine
PubChem CID130874922
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name1-cyclobutyl-3-(difluoromethoxy)pyrrolidine
SMILESFC(F)OC1CCN(C2CCC2)C1
InChIInChI=1S/C9H15F2NO/c10-9(11)13-8-4-5-12(6-8)7-2-1-3-7/h7-9H,1-6H2
InChIKeyLVNREDRMKDJSET-UHFFFAOYSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-methoxypyrrolidine
CID 154019623
(1-cyclobutylpyrrolidin-3-yl)methanediol
CID 167072287
1-[(3R)-3-(difluoromethoxy)pyrrolidin-1-yl]prop-2-en-1-one
CID 166406902
3-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine
CID 103532352
1-cyclobutyl-3-fluoro-4-methylpiperidine
CID 130674980
1-cyclobutyl-4-(hydroxymethyl)piperidin-3-ol
CID 126987363
(3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine
CID 134195627
3-fluoro-1-(4-propan-2-yloxycycloheptyl)azetidine
CID 163258298
cis-(1R,3S)-3-(difluoromethoxy)cyclohexan-1-amine
CID 99707198
trans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine
CID 99707197
(3S)-1-cyclopentylpyrrolidin-3-ol
CID 58155463
2-cyclobutyl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926329

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(difluoromethoxy)pyrrolidine?
The IUPAC name of 1-cyclobutyl-3-(difluoromethoxy)pyrrolidine (CID 130874922) is 1-cyclobutyl-3-(difluoromethoxy)pyrrolidine.
What is the SMILES notation for 1-cyclobutyl-3-(difluoromethoxy)pyrrolidine?
The canonical SMILES for 1-cyclobutyl-3-(difluoromethoxy)pyrrolidine is FC(F)OC1CCN(C2CCC2)C1.
What is the InChIKey of 1-cyclobutyl-3-(difluoromethoxy)pyrrolidine?
The InChIKey is LVNREDRMKDJSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c10-9(11)13-8-4-5-12(6-8)7-2-1-3-7/h7-9H,1-6H2.
What are the key properties of 1-cyclobutyl-3-(difluoromethoxy)pyrrolidine?
1-cyclobutyl-3-(difluoromethoxy)pyrrolidine has a molecular weight of 191.22 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(difluoromethoxy)pyrrolidine is sourced from PubChem (CID 130874922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).