ethyl 2-[4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl]acetate

C9H14F3NO3 — CID 167723790

IUPACethyl 2-[4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl]acetate
SMILESCCOC(=O)CC1CC(O)(C(F)(F)F)CN1
InChIInChI=1S/C9H14F3NO3/c1-2-16-7(14)3-6-4-8(15,5-13-6)9(10,11)12/h6,13,15H,2-5H2,1H3
InChIKeyGZCBRMNXRZNXNG-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.59
Rot. Bonds3

About ethyl 2-[4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl]acetate

ethyl 2-[4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl]acetate (PubChem CID 167723790) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is ethyl 2-[4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl]acetate
PubChem CID167723790
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Nameethyl 2-[4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl]acetate
SMILESCCOC(=O)CC1CC(O)(C(F)(F)F)CN1
InChIInChI=1S/C9H14F3NO3/c1-2-16-7(14)3-6-4-8(15,5-13-6)9(10,11)12/h6,13,15H,2-5H2,1H3
InChIKeyGZCBRMNXRZNXNG-UHFFFAOYSA-N
XLogP0.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2S,5S)-5-methylpiperidin-2-yl]acetate
CID 129410961
ethyl 2-(2-azaspiro[3.3]heptan-6-yl)acetate;2,2,2-trifluoroacetic acid
CID 166604463
ethyl 2-[(2S,4S)-4-methoxypyrrolidin-2-yl]acetate
CID 97300328
ethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate
CID 97300329
ethyl 2-[(2R,3S,4R,5R)-3,4,5-trihydroxypiperidin-2-yl]acetate
CID 10900110
ethyl (2S,5R)-5-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carboxylate
CID 162684709
ethyl 2-[4-[(4,4-difluoropyrrolidin-2-yl)methyl]piperazin-1-yl]acetate
CID 23511818
ethyl 2-(2,2,6-trimethylpiperidin-4-yl)acetate
CID 121001595
ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate
CID 171935476
ethyl 2-(2,2,4-trimethylcyclopentyl)acetate
CID 54404876
ethyl 2-(2,2,6,6-tetramethyloxan-4-yl)acetate
CID 54474466
ethyl 2-[(1R,2S)-2-hydroxy-3-methylcyclobutyl]acetate
CID 100980301

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl]acetate?
The IUPAC name of ethyl 2-[4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl]acetate (CID 167723790) is ethyl 2-[4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl]acetate is CCOC(=O)CC1CC(O)(C(F)(F)F)CN1.
What is the InChIKey of ethyl 2-[4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl]acetate?
The InChIKey is GZCBRMNXRZNXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-2-16-7(14)3-6-4-8(15,5-13-6)9(10,11)12/h6,13,15H,2-5H2,1H3.
What are the key properties of ethyl 2-[4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl]acetate?
ethyl 2-[4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl]acetate has a molecular weight of 241.21 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl]acetate is sourced from PubChem (CID 167723790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).