(3,3-difluoropyrrolidin-1-yl)-[1-(methylaminomethyl)cyclobutyl]methanone

C11H18F2N2O — CID 116991766

IUPAC(3,3-difluoropyrrolidin-1-yl)-[1-(methylaminomethyl)cyclobutyl]methanone
SMILESCNCC1(C(=O)N2CCC(F)(F)C2)CCC1
InChIInChI=1S/C11H18F2N2O/c1-14-7-10(3-2-4-10)9(16)15-6-5-11(12,13)8-15/h14H,2-8H2,1H3
InChIKeyBXMOJICWWQVURG-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.24
Rot. Bonds3

About (3,3-difluoropyrrolidin-1-yl)-[1-(methylaminomethyl)cyclobutyl]methanone

(3,3-difluoropyrrolidin-1-yl)-[1-(methylaminomethyl)cyclobutyl]methanone (PubChem CID 116991766) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-[1-(methylaminomethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-[1-(methylaminomethyl)cyclobutyl]methanone
PubChem CID116991766
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-[1-(methylaminomethyl)cyclobutyl]methanone
SMILESCNCC1(C(=O)N2CCC(F)(F)C2)CCC1
InChIInChI=1S/C11H18F2N2O/c1-14-7-10(3-2-4-10)9(16)15-6-5-11(12,13)8-15/h14H,2-8H2,1H3
InChIKeyBXMOJICWWQVURG-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-difluoropiperidin-1-yl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116991510
3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide
CID 118330204
1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane
CID 158658262
(3,3-difluoropiperidin-1-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116991523
1-(3,3-difluoropyrrolidin-1-yl)-2-pyrrolidin-3-ylethanone
CID 116991691
3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 164555892
3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane
CID 164555762
1-[1-(aminomethyl)cyclohexanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318011
methyl 1-[(3,3-difluoropiperidin-1-yl)methyl]cyclobutane-1-carboxylate
CID 116991383
2,2-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]propan-1-one
CID 116921693
1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 116991513
[1-(methylaminomethyl)cyclobutyl]-(1-methylpiperidin-4-yl)methanone
CID 116921797

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[1-(methylaminomethyl)cyclobutyl]methanone?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[1-(methylaminomethyl)cyclobutyl]methanone (CID 116991766) is (3,3-difluoropyrrolidin-1-yl)-[1-(methylaminomethyl)cyclobutyl]methanone.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-[1-(methylaminomethyl)cyclobutyl]methanone?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-[1-(methylaminomethyl)cyclobutyl]methanone is CNCC1(C(=O)N2CCC(F)(F)C2)CCC1.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-[1-(methylaminomethyl)cyclobutyl]methanone?
The InChIKey is BXMOJICWWQVURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c1-14-7-10(3-2-4-10)9(16)15-6-5-11(12,13)8-15/h14H,2-8H2,1H3.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-[1-(methylaminomethyl)cyclobutyl]methanone?
(3,3-difluoropyrrolidin-1-yl)-[1-(methylaminomethyl)cyclobutyl]methanone has a molecular weight of 232.27 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-[1-(methylaminomethyl)cyclobutyl]methanone is sourced from PubChem (CID 116991766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).