ethane;2,2,2-trifluoroethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate

C10H19F3N2O2 — CID 143547561

IUPACethane;2,2,2-trifluoroethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
SMILESCC.NC[C@@H]1CCCN1C(=O)OCC(F)(F)F
InChIInChI=1S/C8H13F3N2O2.C2H6/c9-8(10,11)5-15-7(14)13-3-1-2-6(13)4-12;1-2/h6H,1-5,12H2;1-2H3/t6-;/m0./s1
InChIKeyJJAFLDUBCULRDS-RGMNGODLSA-N
MW256.27 g/mol
LogP2.13
Rot. Bonds2

About ethane;2,2,2-trifluoroethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate

ethane;2,2,2-trifluoroethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate (PubChem CID 143547561) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is ethane;2,2,2-trifluoroethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethane;2,2,2-trifluoroethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
PubChem CID143547561
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Nameethane;2,2,2-trifluoroethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
SMILESCC.NC[C@@H]1CCCN1C(=O)OCC(F)(F)F
InChIInChI=1S/C8H13F3N2O2.C2H6/c9-8(10,11)5-15-7(14)13-3-1-2-6(13)4-12;1-2/h6H,1-5,12H2;1-2H3/t6-;/m0./s1
InChIKeyJJAFLDUBCULRDS-RGMNGODLSA-N
XLogP2.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2,2,2-trifluoroethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate?
The IUPAC name of ethane;2,2,2-trifluoroethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate (CID 143547561) is ethane;2,2,2-trifluoroethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for ethane;2,2,2-trifluoroethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for ethane;2,2,2-trifluoroethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate is CC.NC[C@@H]1CCCN1C(=O)OCC(F)(F)F.
What is the InChIKey of ethane;2,2,2-trifluoroethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate?
The InChIKey is JJAFLDUBCULRDS-RGMNGODLSA-N. The full InChI is InChI=1S/C8H13F3N2O2.C2H6/c9-8(10,11)5-15-7(14)13-3-1-2-6(13)4-12;1-2/h6H,1-5,12H2;1-2H3/t6-;/m0./s1.
What are the key properties of ethane;2,2,2-trifluoroethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate?
ethane;2,2,2-trifluoroethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate has a molecular weight of 256.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,2-trifluoroethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 143547561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).