N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide

C8H13F3N2O2 — CID 103809695

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1CCNC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)6(14)4-13-7(15)5-1-2-12-3-5/h5-6,12,14H,1-4H2,(H,13,15)
InChIKeySJIJDBHBFCHZCO-UHFFFAOYSA-N
MW226.20 g/mol
LogP-0.36
Rot. Bonds3

About N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide

N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide (PubChem CID 103809695) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
PubChem CID103809695
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1CCNC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)6(14)4-13-7(15)5-1-2-12-3-5/h5-6,12,14H,1-4H2,(H,13,15)
InChIKeySJIJDBHBFCHZCO-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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Related Compounds

2,2,2-trifluoro-N-{[(3R,4S)-4-hydroxy-3-pyrrolidinyl]methyl}acetamide
CID 59026159
2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 59295712
(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride
CID 67293819
[(4R)-3,3-difluoro-4-hydroxypyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 67293822
(3,3-Difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 67293829
(3,3-Difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 67293830
2,2,2-trifluoro-N-{[(3R,4S)-4-hydroxy-3-pyrrolidinyl]methyl}acetamide HCl
CID 86616820
2,2,2-trifluoro-N-{[(3S,4R)-4-hydroxy-3-pyrrolidinyl]methyl}acetamide
CID 86646245
2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride
CID 87481313
2,2,2-trifluoro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]acetamide
CID 87799914
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103723054
3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103723188

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide (CID 103809695) is N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide is O=C(NCC(O)C(F)(F)F)C1CCNC1.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
The InChIKey is SJIJDBHBFCHZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)6(14)4-13-7(15)5-1-2-12-3-5/h5-6,12,14H,1-4H2,(H,13,15).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)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-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 103809695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).