3,3-difluoro-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide

C7H12F2N2O2 — CID 131102014

IUPAC3,3-difluoro-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCO)N1CCC(F)(F)C1
InChIInChI=1S/C7H12F2N2O2/c8-7(9)1-3-11(5-7)6(13)10-2-4-12/h12H,1-5H2,(H,10,13)
InChIKeyBESWMOSZXJIPMH-UHFFFAOYSA-N
MW194.18 g/mol
LogP0.03
Rot. Bonds2

About 3,3-difluoro-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide

3,3-difluoro-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide (PubChem CID 131102014) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 3,3-difluoro-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide
PubChem CID131102014
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC Name3,3-difluoro-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCO)N1CCC(F)(F)C1
InChIInChI=1S/C7H12F2N2O2/c8-7(9)1-3-11(5-7)6(13)10-2-4-12/h12H,1-5H2,(H,10,13)
InChIKeyBESWMOSZXJIPMH-UHFFFAOYSA-N
XLogP0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 57489401
(3R,4R)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide
CID 122536269
(3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide
CID 122536272
5-Hydroxy-1-(trifluoromethyl)imidazolidin-2-one
CID 175829268
1-(2-Hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 49117434
1-(1-Hydroxypropan-2-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 49134507
N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine-1-carboxamide
CID 103081951
(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 103646810
(3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 103646814
3-(3,3-Difluoro-2-hydroxypropyl)-1,1-dimethylurea
CID 103731755
N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103731763
(3S,4R)-3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 103739416

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide (CID 131102014) is 3,3-difluoro-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide is O=C(NCCO)N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide?
The InChIKey is BESWMOSZXJIPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c8-7(9)1-3-11(5-7)6(13)10-2-4-12/h12H,1-5H2,(H,10,13).
What are the key properties of 3,3-difluoro-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide?
3,3-difluoro-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide has a molecular weight of 194.18 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 131102014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).