1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane

C17H34F2N2O2 — CID 158658262

IUPAC1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane
SMILESC.C.CC(C)C(=O)N1CCC(F)(F)C1.CC(C)C(=O)N1CCC1
InChIInChI=1S/C8H13F2NO.C7H13NO.2CH4/c1-6(2)7(12)11-4-3-8(9,10)5-11;1-6(2)7(9)8-4-3-5-8;;/h6H,3-5H2,1-2H3;6H,3-5H2,1-2H3;2*1H4
InChIKeyICKRMVRFMFZINM-UHFFFAOYSA-N
MW336.47 g/mol
LogP3.66
Rot. Bonds2

About 1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane

1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane (PubChem CID 158658262) has the molecular formula C17H34F2N2O2 and a molecular weight of 336.47 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane
PubChem CID158658262
Molecular FormulaC17H34F2N2O2
Molecular Weight336.47 g/mol
Exact Mass336.26
IUPAC Name1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane
SMILESC.C.CC(C)C(=O)N1CCC(F)(F)C1.CC(C)C(=O)N1CCC1
InChIInChI=1S/C8H13F2NO.C7H13NO.2CH4/c1-6(2)7(12)11-4-3-8(9,10)5-11;1-6(2)7(9)8-4-3-5-8;;/h6H,3-5H2,1-2H3;6H,3-5H2,1-2H3;2*1H4
InChIKeyICKRMVRFMFZINM-UHFFFAOYSA-N
XLogP3.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566
1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane
CID 91334879
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one
CID 130721457
3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide
CID 118330204
1-[4-fluoro-4-(1-hydroxyethenyl)piperidin-1-yl]-2-methylpropan-1-one
CID 122675589
2-methyl-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118444436
3-amino-1-(3,3-difluoropyrrolidin-1-yl)-2-hydroxypropan-1-one
CID 116991756
3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722
1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one
CID 131684089
1-(4-amino-4-methylpiperidin-1-yl)-2-methylpropan-1-one;hydrochloride
CID 130891514

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane?
The IUPAC name of 1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane (CID 158658262) is 1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane.
What is the SMILES notation for 1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane?
The canonical SMILES for 1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane is C.C.CC(C)C(=O)N1CCC(F)(F)C1.CC(C)C(=O)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane?
The InChIKey is ICKRMVRFMFZINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO.C7H13NO.2CH4/c1-6(2)7(12)11-4-3-8(9,10)5-11;1-6(2)7(9)8-4-3-5-8;;/h6H,3-5H2,1-2H3;6H,3-5H2,1-2H3;2*1H4.
What are the key properties of 1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane?
1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane has a molecular weight of 336.47 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2-methylpropan-1-one;methane is sourced from PubChem (CID 158658262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).