N-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidin-3-amine

C11H20F2N2O — CID 120966585

IUPACN-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidin-3-amine
SMILESFC(F)COCCN(C1CC1)C1CCNC1
InChIInChI=1S/C11H20F2N2O/c12-11(13)8-16-6-5-15(9-1-2-9)10-3-4-14-7-10/h9-11,14H,1-8H2
InChIKeyVWRCBAQTRIJNGN-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.09
Rot. Bonds7

About N-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidin-3-amine

N-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidin-3-amine (PubChem CID 120966585) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidin-3-amine
PubChem CID120966585
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC NameN-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidin-3-amine
SMILESFC(F)COCCN(C1CC1)C1CCNC1
InChIInChI=1S/C11H20F2N2O/c12-11(13)8-16-6-5-15(9-1-2-9)10-3-4-14-7-10/h9-11,14H,1-8H2
InChIKeyVWRCBAQTRIJNGN-UHFFFAOYSA-N
XLogP1.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine
CID 97230824
4-(2,2,2-Trifluoroethoxy)pyrrolidin-3-amine
CID 15023849
1-(1,1,1-Trifluoro-3-methoxypropan-2-yl)pyrrolidin-3-amine;dihydrochloride
CID 89189154
N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 106614013
3-[(3,3-Difluoropyrrolidin-1-yl)methyl]morpholine
CID 116991609
(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]morpholine
CID 155100855
ethane;N-[(3-fluoropyrrolidin-2-yl)methyl]-N-methyl-2-(trifluoromethoxy)ethanamine
CID 172335581
N-[(4-fluoropyrrolidin-2-yl)methyl]-N-methyl-2-(trifluoromethoxy)ethanamine
CID 172335755
ethane;N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 172335926
4-fluoro-N-(2-methoxyethyl)-1-methylpyrrolidin-3-amine
CID 176675939
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 54961802
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 54962062

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidin-3-amine (CID 120966585) is N-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidin-3-amine is FC(F)COCCN(C1CC1)C1CCNC1.
What is the InChIKey of N-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidin-3-amine?
The InChIKey is VWRCBAQTRIJNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c12-11(13)8-16-6-5-15(9-1-2-9)10-3-4-14-7-10/h9-11,14H,1-8H2.
What are the key properties of N-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidin-3-amine?
N-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidin-3-amine has a molecular weight of 234.29 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 120966585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).