N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C8H13F3N2O2 — CID 63708413

IUPACN-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCO)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)7(1-2-12-5-7)6(15)13-3-4-14/h12,14H,1-5H2,(H,13,15)
InChIKeyRHMCCJSDJCKACV-UHFFFAOYSA-N
MW226.20 g/mol
LogP-0.36
Rot. Bonds3

About N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708413) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708413
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC NameN-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCO)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)7(1-2-12-5-7)6(15)13-3-4-14/h12,14H,1-5H2,(H,13,15)
InChIKeyRHMCCJSDJCKACV-UHFFFAOYSA-N
XLogP-0.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708413) is N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCCO)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is RHMCCJSDJCKACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)7(1-2-12-5-7)6(15)13-3-4-14/h12,14H,1-5H2,(H,13,15).
What are the key properties of N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 226.20 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).