1-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C13H16F3NO3 — CID 65060718

IUPAC1-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCC(Cc1ccco1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C13H16F3NO3/c1-9(7-10-3-2-6-20-10)17-5-4-12(8-17,11(18)19)13(14,15)16/h2-3,6,9H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyIGWYRYSNRXWKKN-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.55
Rot. Bonds4

About 1-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 65060718) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID65060718
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name1-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCC(Cc1ccco1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C13H16F3NO3/c1-9(7-10-3-2-6-20-10)17-5-4-12(8-17,11(18)19)13(14,15)16/h2-3,6,9H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyIGWYRYSNRXWKKN-UHFFFAOYSA-N
XLogP2.55
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(furan-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65060663
1-[1-(furan-2-yl)propan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068895
1-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65061066
1-[1-(2-hydroxyphenyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65060864
11-[1-(furan-2-yl)propan-2-yl]-7,11-diazaspiro[5.6]dodecane
CID 64942841
1-[1-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65060567
4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione
CID 63789266
3-[1-[1-(furan-2-yl)propan-2-yl]piperidin-3-yl]butanoic acid
CID 81046243
1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096088
[1-[1-(furan-2-yl)propan-2-yl]pyrrolidin-3-yl]methanol
CID 64866259
1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid
CID 114990407
1-[1-(furan-2-yl)propan-2-yl]azepane-2-carboxylic acid
CID 65069664

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 65060718) is 1-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CC(Cc1ccco1)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is IGWYRYSNRXWKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-9(7-10-3-2-6-20-10)17-5-4-12(8-17,11(18)19)13(14,15)16/h2-3,6,9H,4-5,7-8H2,1H3,(H,18,19).
What are the key properties of 1-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 291.27 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65060718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).