N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride

C8H17Cl2F3N2 — CID 122156751

IUPACN-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride
SMILESCCNC1CCN(CC(F)(F)F)C1.Cl.Cl
InChIInChI=1S/C8H15F3N2.2ClH/c1-2-12-7-3-4-13(5-7)6-8(9,10)11;;/h7,12H,2-6H2,1H3;2*1H
InChIKeyJCDPBDMGWFLGQR-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.08
Rot. Bonds3

About N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride

N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride (PubChem CID 122156751) has the molecular formula C8H17Cl2F3N2 and a molecular weight of 269.14 g/mol. Its IUPAC name is N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride
PubChem CID122156751
Molecular FormulaC8H17Cl2F3N2
Molecular Weight269.14 g/mol
Exact Mass268.07
IUPAC NameN-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride
SMILESCCNC1CCN(CC(F)(F)F)C1.Cl.Cl
InChIInChI=1S/C8H15F3N2.2ClH/c1-2-12-7-3-4-13(5-7)6-8(9,10)11;;/h7,12H,2-6H2,1H3;2*1H
InChIKeyJCDPBDMGWFLGQR-UHFFFAOYSA-N
XLogP2.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]ethanol
CID 153330305
1-ethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2-(3,3,3-trifluoropropyl)guanidine
CID 111993889
N-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 115512946
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855134
2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
CID 166529361
N-(1,3-oxazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 167784712
2,6-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidin-1-amine
CID 83009533
(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122495210
4-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methyl]thian-4-ol
CID 75378829
N-ethyl-1-(3-methylbut-2-enyl)pyrrolidin-3-amine
CID 106191040
N-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82709542
N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755345

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride (CID 122156751) is N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride is CCNC1CCN(CC(F)(F)F)C1.Cl.Cl.
What is the InChIKey of N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride?
The InChIKey is JCDPBDMGWFLGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2.2ClH/c1-2-12-7-3-4-13(5-7)6-8(9,10)11;;/h7,12H,2-6H2,1H3;2*1H.
What are the key properties of N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride?
N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride has a molecular weight of 269.14 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 122156751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).