(3S)-3-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C10H17F3N2O — CID 155607732

IUPAC(3S)-3-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCC[C@@H]1CN(C(=O)NCC(F)(F)F)CC1C
InChIInChI=1S/C10H17F3N2O/c1-3-8-5-15(4-7(8)2)9(16)14-6-10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,16)/t7?,8-/m1/s1
InChIKeyYVAMLIIGJBEGAP-BRFYHDHCSA-N
MW238.25 g/mol
LogP2.24
Rot. Bonds2

About (3S)-3-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

(3S)-3-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 155607732) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is (3S)-3-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID155607732
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name(3S)-3-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCC[C@@H]1CN(C(=O)NCC(F)(F)F)CC1C
InChIInChI=1S/C10H17F3N2O/c1-3-8-5-15(4-7(8)2)9(16)14-6-10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,16)/t7?,8-/m1/s1
InChIKeyYVAMLIIGJBEGAP-BRFYHDHCSA-N
XLogP2.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 155607732) is (3S)-3-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CC[C@@H]1CN(C(=O)NCC(F)(F)F)CC1C.
What is the InChIKey of (3S)-3-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is YVAMLIIGJBEGAP-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-3-8-5-15(4-7(8)2)9(16)14-6-10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,16)/t7?,8-/m1/s1.
What are the key properties of (3S)-3-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
(3S)-3-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 155607732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).