ethane;1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine

C11H23F2NO — CID 169146071

IUPACethane;1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine
SMILESCC.CCOCC1(CN(C)C)CC1(F)F
InChIInChI=1S/C9H17F2NO.C2H6/c1-4-13-7-8(6-12(2)3)5-9(8,10)11;1-2/h4-7H2,1-3H3;1-2H3
InChIKeyXKOVCHVORNYHGK-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.64
Rot. Bonds5

About ethane;1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine

ethane;1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine (PubChem CID 169146071) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is ethane;1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Nameethane;1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine
PubChem CID169146071
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC Nameethane;1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine
SMILESCC.CCOCC1(CN(C)C)CC1(F)F
InChIInChI=1S/C9H17F2NO.C2H6/c1-4-13-7-8(6-12(2)3)5-9(8,10)11;1-2/h4-7H2,1-3H3;1-2H3
InChIKeyXKOVCHVORNYHGK-UHFFFAOYSA-N
XLogP2.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Difluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine
CID 155794157
3,3-Difluoro-1-[[1-(2-methylbutan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 156061281
3,3-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane
CID 164879004
3,3-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 164879005
1-[[1-(Ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine
CID 164904090
ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine
CID 166534171
(2R)-2-fluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]-N-methylbutan-1-amine
CID 167216525
1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine
CID 169145450
(3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
CID 169255798
Ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
CID 169255911
3-Fluoro-1-[[1-(propoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 169572965
3,3-Difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]azetidine
CID 169658905

Frequently Asked Questions

What is the IUPAC name of ethane;1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine?
The IUPAC name of ethane;1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine (CID 169146071) is ethane;1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine.
What is the SMILES notation for ethane;1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine?
The canonical SMILES for ethane;1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine is CC.CCOCC1(CN(C)C)CC1(F)F.
What is the InChIKey of ethane;1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine?
The InChIKey is XKOVCHVORNYHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO.C2H6/c1-4-13-7-8(6-12(2)3)5-9(8,10)11;1-2/h4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine?
ethane;1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine has a molecular weight of 223.31 g/mol, XLogP of 2.64, 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)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 169146071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).