2-(3,4-dimethoxypyrrolidin-1-yl)-3,3,3-trifluoropropan-1-amine

C9H17F3N2O2 — CID 103531001

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)-3,3,3-trifluoropropan-1-amine
SMILESCOC1CN(C(CN)C(F)(F)F)CC1OC
InChIInChI=1S/C9H17F3N2O2/c1-15-6-4-14(5-7(6)16-2)8(3-13)9(10,11)12/h6-8H,3-5,13H2,1-2H3
InChIKeyNVYRWFPSUIWNOW-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.22
Rot. Bonds4

About 2-(3,4-dimethoxypyrrolidin-1-yl)-3,3,3-trifluoropropan-1-amine

2-(3,4-dimethoxypyrrolidin-1-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 103531001) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID103531001
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)-3,3,3-trifluoropropan-1-amine
SMILESCOC1CN(C(CN)C(F)(F)F)CC1OC
InChIInChI=1S/C9H17F3N2O2/c1-15-6-4-14(5-7(6)16-2)8(3-13)9(10,11)12/h6-8H,3-5,13H2,1-2H3
InChIKeyNVYRWFPSUIWNOW-UHFFFAOYSA-N
XLogP0.22
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N,N-dimethylpyrrolidin-1-ium-3-amine;2,2,2-trifluoroacetate
CID 89686117
Racemic (trans)-3-(dimethylamino)-4-methoxypyrrolidin-1-ium 2,2,2-trifluoroacetate
CID 89686118
2-[3-(difluoromethoxy)pyrrolidin-1-yl]-N-methylethanamine
CID 145131539
1-Methyl-4-(trifluoromethoxy)pyrrolidin-3-amine
CID 147371119
4-(1,1-Difluoroethoxy)-1-methylpyrrolidin-3-amine
CID 148492032
Ethane;4-(trifluoromethoxy)pyrrolidin-3-amine
CID 153402288
1-Propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyrrolidine
CID 162445121
2-[[Methyl-[2-(trifluoromethoxy)ethyl]amino]methyl]pyrrolidin-3-ol
CID 172335460
1-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 54962067
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 55008614
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55009258
2,2,2-trifluoro-N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylethanamine
CID 61214089

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-3,3,3-trifluoropropan-1-amine (CID 103531001) is 2-(3,4-dimethoxypyrrolidin-1-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)-3,3,3-trifluoropropan-1-amine is COC1CN(C(CN)C(F)(F)F)CC1OC.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is NVYRWFPSUIWNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-15-6-4-14(5-7(6)16-2)8(3-13)9(10,11)12/h6-8H,3-5,13H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)-3,3,3-trifluoropropan-1-amine?
2-(3,4-dimethoxypyrrolidin-1-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 242.24 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxypyrrolidin-1-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103531001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).