2-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C10H17F3N2O2 — CID 110921848

IUPAC2-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCCC1CCCO
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-14-9(17)15-5-1-3-8(15)4-2-6-16/h8,16H,1-7H2,(H,14,17)
InChIKeyHOTBQCBDDDBXNH-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.50
Rot. Bonds4

About 2-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

2-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 110921848) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID110921848
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCCC1CCCO
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-14-9(17)15-5-1-3-8(15)4-2-6-16/h8,16H,1-7H2,(H,14,17)
InChIKeyHOTBQCBDDDBXNH-UHFFFAOYSA-N
XLogP1.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 110921848) is 2-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is O=C(NCC(F)(F)F)N1CCCC1CCCO.
What is the InChIKey of 2-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is HOTBQCBDDDBXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)7-14-9(17)15-5-1-3-8(15)4-2-6-16/h8,16H,1-7H2,(H,14,17).
What are the key properties of 2-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
2-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 110921848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).