2,3-diethyl-1,1-difluorocyclopropane;ethane;1-(3-methylpyrrolidin-1-yl)ethanone

C16H31F2NO — CID 177054013

IUPAC2,3-diethyl-1,1-difluorocyclopropane;ethane;1-(3-methylpyrrolidin-1-yl)ethanone
SMILESCC.CC(=O)N1CCC(C)C1.CCC1C(CC)C1(F)F
InChIInChI=1S/C7H12F2.C7H13NO.C2H6/c1-3-5-6(4-2)7(5,8)9;1-6-3-4-8(5-6)7(2)9;1-2/h5-6H,3-4H2,1-2H3;6H,3-5H2,1-2H3;1-2H3
InChIKeyBMCYBSXYKMSLFN-UHFFFAOYSA-N
MW291.43 g/mol
LogP4.59
Rot. Bonds2

About 2,3-diethyl-1,1-difluorocyclopropane;ethane;1-(3-methylpyrrolidin-1-yl)ethanone

2,3-diethyl-1,1-difluorocyclopropane;ethane;1-(3-methylpyrrolidin-1-yl)ethanone (PubChem CID 177054013) has the molecular formula C16H31F2NO and a molecular weight of 291.43 g/mol. Its IUPAC name is 2,3-diethyl-1,1-difluorocyclopropane;ethane;1-(3-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2,3-diethyl-1,1-difluorocyclopropane;ethane;1-(3-methylpyrrolidin-1-yl)ethanone
PubChem CID177054013
Molecular FormulaC16H31F2NO
Molecular Weight291.43 g/mol
Exact Mass291.24
IUPAC Name2,3-diethyl-1,1-difluorocyclopropane;ethane;1-(3-methylpyrrolidin-1-yl)ethanone
SMILESCC.CC(=O)N1CCC(C)C1.CCC1C(CC)C1(F)F
InChIInChI=1S/C7H12F2.C7H13NO.C2H6/c1-3-5-6(4-2)7(5,8)9;1-6-3-4-8(5-6)7(2)9;1-2/h5-6H,3-4H2,1-2H3;6H,3-5H2,1-2H3;1-2H3
InChIKeyBMCYBSXYKMSLFN-UHFFFAOYSA-N
XLogP4.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethene;1-(3-methylpyrrolidin-1-yl)ethanone
CID 177026606
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
ethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone
CID 170766986
ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone
CID 142926583
1-(3-bromo-4-methylpiperidin-1-yl)ethanone
CID 102962242
ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone
CID 143082403
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090
1-(4,5-dimethylazepan-1-yl)ethanone
CID 139460502
ethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 177053865
ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone
CID 143082377

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-1,1-difluorocyclopropane;ethane;1-(3-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2,3-diethyl-1,1-difluorocyclopropane;ethane;1-(3-methylpyrrolidin-1-yl)ethanone (CID 177054013) is 2,3-diethyl-1,1-difluorocyclopropane;ethane;1-(3-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2,3-diethyl-1,1-difluorocyclopropane;ethane;1-(3-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2,3-diethyl-1,1-difluorocyclopropane;ethane;1-(3-methylpyrrolidin-1-yl)ethanone is CC.CC(=O)N1CCC(C)C1.CCC1C(CC)C1(F)F.
What is the InChIKey of 2,3-diethyl-1,1-difluorocyclopropane;ethane;1-(3-methylpyrrolidin-1-yl)ethanone?
The InChIKey is BMCYBSXYKMSLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2.C7H13NO.C2H6/c1-3-5-6(4-2)7(5,8)9;1-6-3-4-8(5-6)7(2)9;1-2/h5-6H,3-4H2,1-2H3;6H,3-5H2,1-2H3;1-2H3.
What are the key properties of 2,3-diethyl-1,1-difluorocyclopropane;ethane;1-(3-methylpyrrolidin-1-yl)ethanone?
2,3-diethyl-1,1-difluorocyclopropane;ethane;1-(3-methylpyrrolidin-1-yl)ethanone has a molecular weight of 291.43 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-1,1-difluorocyclopropane;ethane;1-(3-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 177054013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).