ethane;1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3,3-difluoropyrrolidine

C13H25F2NO — CID 176927908

IUPACethane;1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3,3-difluoropyrrolidine
SMILESCC.CCOCC1(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C11H19F2NO.C2H6/c1-2-15-9-10(3-4-10)7-14-6-5-11(12,13)8-14;1-2/h2-9H2,1H3;1-2H3
InChIKeyQDNSTRSRKYNFQD-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.17
Rot. Bonds5

About ethane;1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3,3-difluoropyrrolidine

ethane;1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3,3-difluoropyrrolidine (PubChem CID 176927908) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is ethane;1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3,3-difluoropyrrolidine.

Molecular Properties

Compound Nameethane;1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3,3-difluoropyrrolidine
PubChem CID176927908
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Nameethane;1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3,3-difluoropyrrolidine
SMILESCC.CCOCC1(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C11H19F2NO.C2H6/c1-2-15-9-10(3-4-10)7-14-6-5-11(12,13)8-14;1-2/h2-9H2,1H3;1-2H3
InChIKeyQDNSTRSRKYNFQD-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Ethoxymethyl)-3-fluoro-1-methylpyrrolidine
CID 90165373
1-[1,2-Difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine
CID 130418410
1-[(1R)-1,2-difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]pyrrolidine
CID 130418419
N-[difluoro(oxolan-3-yl)methyl]-N-ethylethanamine
CID 140159606
1-[1,2-Difluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)-2-(trifluoromethyl)butyl]pyrrolidine;ethane
CID 145366187
3,3-Difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine
CID 155794157
(3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine
CID 155794158
3,3-Difluoro-1-[[1-(2-methylbutan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 156061281
[1-[(3,3-Difluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite
CID 156062281
3,3-Difluoro-1-[1-(2-propan-2-yloxyethyl)cyclopropyl]pyrrolidine
CID 156062288
3-Fluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 164878349
[1-(Pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite
CID 164878789

Frequently Asked Questions

What is the IUPAC name of ethane;1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3,3-difluoropyrrolidine?
The IUPAC name of ethane;1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3,3-difluoropyrrolidine (CID 176927908) is ethane;1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3,3-difluoropyrrolidine.
What is the SMILES notation for ethane;1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3,3-difluoropyrrolidine?
The canonical SMILES for ethane;1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3,3-difluoropyrrolidine is CC.CCOCC1(CN2CCC(F)(F)C2)CC1.
What is the InChIKey of ethane;1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3,3-difluoropyrrolidine?
The InChIKey is QDNSTRSRKYNFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO.C2H6/c1-2-15-9-10(3-4-10)7-14-6-5-11(12,13)8-14;1-2/h2-9H2,1H3;1-2H3.
What are the key properties of ethane;1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3,3-difluoropyrrolidine?
ethane;1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3,3-difluoropyrrolidine has a molecular weight of 249.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3,3-difluoropyrrolidine is sourced from PubChem (CID 176927908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).