(2R)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropoxy)pyrrolidine-1-carboxamide

C9H15F3N2O3 — CID 99579589

IUPAC(2R)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropoxy)pyrrolidine-1-carboxamide
SMILESO=C(NOCCC(F)(F)F)N1CCC[C@@H]1CO
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)3-5-17-13-8(16)14-4-1-2-7(14)6-15/h7,15H,1-6H2,(H,13,16)/t7-/m1/s1
InChIKeyGTGRTAKLIGHNTF-SSDOTTSWSA-N
MW256.22 g/mol
LogP1.04
Rot. Bonds4

About (2R)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropoxy)pyrrolidine-1-carboxamide

(2R)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropoxy)pyrrolidine-1-carboxamide (PubChem CID 99579589) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropoxy)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropoxy)pyrrolidine-1-carboxamide
PubChem CID99579589
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name(2R)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropoxy)pyrrolidine-1-carboxamide
SMILESO=C(NOCCC(F)(F)F)N1CCC[C@@H]1CO
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)3-5-17-13-8(16)14-4-1-2-7(14)6-15/h7,15H,1-6H2,(H,13,16)/t7-/m1/s1
InChIKeyGTGRTAKLIGHNTF-SSDOTTSWSA-N
XLogP1.04
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(S)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 14641509
(R)-2-(Hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222
2-(hydroxymethyl)-N-(3,3,3-trifluoropropoxy)pyrrolidine-1-carboxamide
CID 86817401
(2S)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropoxy)pyrrolidine-1-carboxamide
CID 99579915
2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 102778493
(2R)-2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 103631549
1-[4-[2-(Hydroxymethyl)pyrrolidin-1-yl]butyl]-3-(2,2,2-trifluoroethyl)urea
CID 111112673
2-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboxamide
CID 111427912
2-(hydroxymethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboxamide
CID 111427959
(2S)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboxamide
CID 111509213
2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 115613476
4-Fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 127011975

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropoxy)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropoxy)pyrrolidine-1-carboxamide (CID 99579589) is (2R)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropoxy)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropoxy)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropoxy)pyrrolidine-1-carboxamide is O=C(NOCCC(F)(F)F)N1CCC[C@@H]1CO.
What is the InChIKey of (2R)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropoxy)pyrrolidine-1-carboxamide?
The InChIKey is GTGRTAKLIGHNTF-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c10-9(11,12)3-5-17-13-8(16)14-4-1-2-7(14)6-15/h7,15H,1-6H2,(H,13,16)/t7-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropoxy)pyrrolidine-1-carboxamide?
(2R)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropoxy)pyrrolidine-1-carboxamide has a molecular weight of 256.22 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-N-(3,3,3-trifluoropropoxy)pyrrolidine-1-carboxamide is sourced from PubChem (CID 99579589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).