ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine

C13H27F2NO — CID 166534171

IUPACethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine
SMILESCC.CCN(CC(C)(F)F)CC1(COC)CC1
InChIInChI=1S/C11H21F2NO.C2H6/c1-4-14(7-10(2,12)13)8-11(5-6-11)9-15-3;1-2/h4-9H2,1-3H3;1-2H3
InChIKeyQFKQBBVCWCILGV-UHFFFAOYSA-N
MW251.36 g/mol
LogP3.42
Rot. Bonds7

About ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine

ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine (PubChem CID 166534171) has the molecular formula C13H27F2NO and a molecular weight of 251.36 g/mol. Its IUPAC name is ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine
PubChem CID166534171
Molecular FormulaC13H27F2NO
Molecular Weight251.36 g/mol
Exact Mass251.21
IUPAC Nameethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine
SMILESCC.CCN(CC(C)(F)F)CC1(COC)CC1
InChIInChI=1S/C11H21F2NO.C2H6/c1-4-14(7-10(2,12)13)8-11(5-6-11)9-15-3;1-2/h4-9H2,1-3H3;1-2H3
InChIKeyQFKQBBVCWCILGV-UHFFFAOYSA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine
CID 134270019
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-Fluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 164878349
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
(3R)-3-fluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 167190956
(2R)-2-fluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]-N-methylbutan-1-amine
CID 167216525
(3S)-3-fluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 167254755
1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine
CID 169145450
ethane;1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine
CID 169146071

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine (CID 166534171) is ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine is CC.CCN(CC(C)(F)F)CC1(COC)CC1.
What is the InChIKey of ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is QFKQBBVCWCILGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO.C2H6/c1-4-14(7-10(2,12)13)8-11(5-6-11)9-15-3;1-2/h4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine?
ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 251.36 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 166534171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).